5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline

C97H100Br4I2N14O11 — CID 158468007

IUPAC5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
SMILESC=CCN(C(=O)c1cncc(Br)c1I)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.C=CCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.Cc1cn(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c(=O)c2cncc(Br)c12.O=C(O)c1cncc(Br)c1.O=C(O)c1cncc(Br)c1I.[C-]#[N+]c1ccc(-c2cncc3c(=O)n(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cc(C)c23)cc1
InChIInChI=1S/C28H26N4O2.C21H23BrIN3O2.C21H22BrN3O2.C15H22N2O.C6H3BrINO2.C6H4BrNO2/c1-18-15-32(24-11-9-23(10-12-24)31-16-19(2)34-20(3)17-31)28(33)26-14-30-13-25(27(18)26)21-5-7-22(29-4)8-6-21;1-4-9-26(21(27)18-10-24-11-19(22)20(18)23)17-7-5-16(6-8-17)25-12-14(2)28-15(3)13-25;1-13-10-25(21(26)18-8-23-9-19(22)20(13)18)17-6-4-16(5-7-17)24-11-14(2)27-15(3)12-24;1-4-9-16-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17;7-4-2-9-1-3(5(4)8)6(10)11;7-5-1-4(6(9)10)2-8-3-5/h5-15,19-20H,16-17H2,1-3H3;4-8,10-11,14-15H,1,9,12-13H2,2-3H3;4-10,14-15H,11-12H2,1-3H3;4-8,12-13,16H,1,9-11H2,2-3H3;1-2H,(H,10,11);1-3H,(H,9,10)/t19-,20+;2*14-,15+;12-,13+;;
InChIKeyHFZPLFFMDJPOSZ-UVFJXVBVSA-N
MW2211.38 g/mol
LogP21.08
Rot. Bonds16

About 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline

5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline (PubChem CID 158468007) has the molecular formula C97H100Br4I2N14O11 and a molecular weight of 2211.38 g/mol. Its IUPAC name is 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline.

Molecular Properties

Compound Name5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
PubChem CID158468007
Molecular FormulaC97H100Br4I2N14O11
Molecular Weight2211.38 g/mol
Exact Mass2206.25
IUPAC Name5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
SMILESC=CCN(C(=O)c1cncc(Br)c1I)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.C=CCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.Cc1cn(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c(=O)c2cncc(Br)c12.O=C(O)c1cncc(Br)c1.O=C(O)c1cncc(Br)c1I.[C-]#[N+]c1ccc(-c2cncc3c(=O)n(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cc(C)c23)cc1
InChIInChI=1S/C28H26N4O2.C21H23BrIN3O2.C21H22BrN3O2.C15H22N2O.C6H3BrINO2.C6H4BrNO2/c1-18-15-32(24-11-9-23(10-12-24)31-16-19(2)34-20(3)17-31)28(33)26-14-30-13-25(27(18)26)21-5-7-22(29-4)8-6-21;1-4-9-26(21(27)18-10-24-11-19(22)20(18)23)17-7-5-16(6-8-17)25-12-14(2)28-15(3)13-25;1-13-10-25(21(26)18-8-23-9-19(22)20(13)18)17-6-4-16(5-7-17)24-11-14(2)27-15(3)12-24;1-4-9-16-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17;7-4-2-9-1-3(5(4)8)6(10)11;7-5-1-4(6(9)10)2-8-3-5/h5-15,19-20H,16-17H2,1-3H3;4-8,10-11,14-15H,1,9,12-13H2,2-3H3;4-10,14-15H,11-12H2,1-3H3;4-8,12-13,16H,1,9-11H2,2-3H3;1-2H,(H,10,11);1-3H,(H,9,10)/t19-,20+;2*14-,15+;12-,13+;;
InChIKeyHFZPLFFMDJPOSZ-UVFJXVBVSA-N
XLogP21.08
TPSA269.63 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002211.38
LogP ≤ 521.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline with MolForge

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Related Compounds

6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane
CID 157421561
dicesium;3-bromo-2-chloro-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-N-prop-2-enylpyridine-4-carboxamide;3-bromo-2-chloropyridine;3-bromo-2-chloropyridine-4-carboxylic acid;3-bromoprop-1-ene;5-chloro-2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,6-naphthyridin-1-one;2-chloro-1-methylpyridin-1-ium;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,6-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline;hydride;oxido formate;oxolane;iodide
CID 157880863
5-bromopyridine-3-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 159938068
Sodium;tert-butyl 4-bromo-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate;tert-butyl 4-morpholin-4-yl-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate;4-morpholin-4-yl-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 160505896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline?
The IUPAC name of 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline (CID 158468007) is 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline.
What is the SMILES notation for 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline?
The canonical SMILES for 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline is C=CCN(C(=O)c1cncc(Br)c1I)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.C=CCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.Cc1cn(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c(=O)c2cncc(Br)c12.O=C(O)c1cncc(Br)c1.O=C(O)c1cncc(Br)c1I.[C-]#[N+]c1ccc(-c2cncc3c(=O)n(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cc(C)c23)cc1.
What is the InChIKey of 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline?
The InChIKey is HFZPLFFMDJPOSZ-UVFJXVBVSA-N. The full InChI is InChI=1S/C28H26N4O2.C21H23BrIN3O2.C21H22BrN3O2.C15H22N2O.C6H3BrINO2.C6H4BrNO2/c1-18-15-32(24-11-9-23(10-12-24)31-16-19(2)34-20(3)17-31)28(33)26-14-30-13-25(27(18)26)21-5-7-22(29-4)8-6-21;1-4-9-26(21(27)18-10-24-11-19(22)20(18)23)17-7-5-16(6-8-17)25-12-14(2)28-15(3)13-25;1-13-10-25(21(26)18-8-23-9-19(22)20(13)18)17-6-4-16(5-7-17)24-11-14(2)27-15(3)12-24;1-4-9-16-14-5-7-15(8-6-14)17-10-12(2)18-13(3)11-17;7-4-2-9-1-3(5(4)8)6(10)11;7-5-1-4(6(9)10)2-8-3-5/h5-15,19-20H,16-17H2,1-3H3;4-8,10-11,14-15H,1,9,12-13H2,2-3H3;4-10,14-15H,11-12H2,1-3H3;4-8,12-13,16H,1,9-11H2,2-3H3;1-2H,(H,10,11);1-3H,(H,9,10)/t19-,20+;2*14-,15+;12-,13+;;.
What are the key properties of 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline?
5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline has a molecular weight of 2211.38 g/mol, XLogP of 21.08, 16 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline is sourced from PubChem (CID 158468007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).