N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane

C47H61Br2N9O5 — CID 158020636

IUPACN-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane
SMILESC.C.C.C.C.C.CC(=O)Nc1cc(N)cc(-c2ccc(=O)n(C)c2)c1.CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2ccc(=O)n(C)c2)c1.O=c1ccc(Br)c[nH]1
InChIInChI=1S/C22H18BrN5O2.C14H15N3O2.C5H4BrNO.6CH4/c1-13(29)25-18-8-15(14-3-6-21(30)28(2)12-14)9-19(10-18)26-22-24-11-16-7-17(23)4-5-20(16)27-22;1-9(18)16-13-6-11(5-12(15)7-13)10-3-4-14(19)17(2)8-10;6-4-1-2-5(8)7-3-4;;;;;;/h3-12H,1-2H3,(H,25,29)(H,24,26,27);3-8H,15H2,1-2H3,(H,16,18);1-3H,(H,7,8);6*1H4
InChIKeyFGACEAHDBTXVHV-UHFFFAOYSA-N
MW991.87 g/mol
LogP11.01
Rot. Bonds6

About N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane

N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane (PubChem CID 158020636) has the molecular formula C47H61Br2N9O5 and a molecular weight of 991.87 g/mol. Its IUPAC name is N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane.

Molecular Properties

Compound NameN-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane
PubChem CID158020636
Molecular FormulaC47H61Br2N9O5
Molecular Weight991.87 g/mol
Exact Mass989.32
IUPAC NameN-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane
SMILESC.C.C.C.C.C.CC(=O)Nc1cc(N)cc(-c2ccc(=O)n(C)c2)c1.CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2ccc(=O)n(C)c2)c1.O=c1ccc(Br)c[nH]1
InChIInChI=1S/C22H18BrN5O2.C14H15N3O2.C5H4BrNO.6CH4/c1-13(29)25-18-8-15(14-3-6-21(30)28(2)12-14)9-19(10-18)26-22-24-11-16-7-17(23)4-5-20(16)27-22;1-9(18)16-13-6-11(5-12(15)7-13)10-3-4-14(19)17(2)8-10;6-4-1-2-5(8)7-3-4;;;;;;/h3-12H,1-2H3,(H,25,29)(H,24,26,27);3-8H,15H2,1-2H3,(H,16,18);1-3H,(H,7,8);6*1H4
InChIKeyFGACEAHDBTXVHV-UHFFFAOYSA-N
XLogP11.01
TPSA198.89 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500991.87
LogP ≤ 511.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane with MolForge

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Related Compounds

(2E)-N-(4-((3-bromophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 5328969
6-Substituted 4-Anilinoquinazoline 25
CID 5329086
4-Anilinoquinazoline deriv. 16b
CID 5328970
4-Anilinoquinazoline deriv. 16c
CID 5328971
4-Anilinoquinazoline deriv. 20
CID 5328984
(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(dimethylamino)prop-2-enamide
CID 5328986
N-[4-[(3-bromophenyl)methyl]quinazolin-6-yl]prop-2-enamide
CID 44564165
(E)-N'-[4-(3-bromoanilino)quinazolin-6-yl]-N-[4-(3-bromoanilino)quinazolin-7-yl]pent-2-enediamide
CID 44564303
N-(4-(4-Bromophenylamino)quinazolin-6-yl)acrylamide
CID 15159375
(2E)-N-{4-[(4-bromo-2-fluorophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
CID 44428901
N-[4-[[3-bromo-4-[(dimethylamino)methyl]phenyl]methyl]quinazolin-6-yl]prop-2-enamide
CID 44564166
N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide
CID 72736749

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane?
The IUPAC name of N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane (CID 158020636) is N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane.
What is the SMILES notation for N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane?
The canonical SMILES for N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane is C.C.C.C.C.C.CC(=O)Nc1cc(N)cc(-c2ccc(=O)n(C)c2)c1.CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2ccc(=O)n(C)c2)c1.O=c1ccc(Br)c[nH]1.
What is the InChIKey of N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane?
The InChIKey is FGACEAHDBTXVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O2.C14H15N3O2.C5H4BrNO.6CH4/c1-13(29)25-18-8-15(14-3-6-21(30)28(2)12-14)9-19(10-18)26-22-24-11-16-7-17(23)4-5-20(16)27-22;1-9(18)16-13-6-11(5-12(15)7-13)10-3-4-14(19)17(2)8-10;6-4-1-2-5(8)7-3-4;;;;;;/h3-12H,1-2H3,(H,25,29)(H,24,26,27);3-8H,15H2,1-2H3,(H,16,18);1-3H,(H,7,8);6*1H4.
What are the key properties of N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane?
N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane has a molecular weight of 991.87 g/mol, XLogP of 11.01, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane is sourced from PubChem (CID 158020636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).