6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one

C48H58Br3N11O5 — CID 159085673

IUPAC6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one
SMILESCC(=O)C[C@H](C)c1cncc(Br)c1.CC(=O)N(C)[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CC(=O)N(C)[C@H](C)c1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21
InChIInChI=1S/C19H23N5O2.C10H13BrN2O.C10H12BrNO.C9H10BrN3O/c1-12(23(3)13(2)25)15-8-16(10-21-9-15)17-7-14-5-4-6-24(19(20)26)18(14)22-11-17;1-7(13(3)8(2)14)9-4-10(11)6-12-5-9;1-7(3-8(2)13)9-4-10(11)6-12-5-9;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h7-12H,4-6H2,1-3H3,(H2,20,26);4-7H,1-3H3;4-7H,3H2,1-2H3;4-5H,1-3H2,(H2,11,14)/t12-;2*7-;/m110./s1
InChIKeyKBKNAXHSQZDXHX-GOSIAHECSA-N
MW1108.78 g/mol
LogP9.50
Rot. Bonds8

About 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one

6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one (PubChem CID 159085673) has the molecular formula C48H58Br3N11O5 and a molecular weight of 1108.78 g/mol. Its IUPAC name is 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one
PubChem CID159085673
Molecular FormulaC48H58Br3N11O5
Molecular Weight1108.78 g/mol
Exact Mass1105.22
IUPAC Name6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one
SMILESCC(=O)C[C@H](C)c1cncc(Br)c1.CC(=O)N(C)[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CC(=O)N(C)[C@H](C)c1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21
InChIInChI=1S/C19H23N5O2.C10H13BrN2O.C10H12BrNO.C9H10BrN3O/c1-12(23(3)13(2)25)15-8-16(10-21-9-15)17-7-14-5-4-6-24(19(20)26)18(14)22-11-17;1-7(13(3)8(2)14)9-4-10(11)6-12-5-9;1-7(3-8(2)13)9-4-10(11)6-12-5-9;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h7-12H,4-6H2,1-3H3,(H2,20,26);4-7H,1-3H3;4-7H,3H2,1-2H3;4-5H,1-3H2,(H2,11,14)/t12-;2*7-;/m110./s1
InChIKeyKBKNAXHSQZDXHX-GOSIAHECSA-N
XLogP9.50
TPSA214.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.78
LogP ≤ 59.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one with MolForge

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Related Compounds

6-bromo-N-tert-butyl-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxamide;6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one;methane
CID 158490877
6-Bromo-1'-(2,2-dimethylpropanoyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one;6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one;methane
CID 159132343
6-Bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one;6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one;methane
CID 160254410
CID 164974901
CID 164974901
3'-Bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione
CID 25204486
(6'aR,7'R)-3'-bromo-7',9'-dimethylspiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione
CID 25204487
1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 67026612
1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide
CID 67026613
4-bromoisoquinoline;isoquinolin-4-amine;N-isoquinolin-4-ylacetamide;N-isoquinolin-4-yl-1,1-diphenylmethanimine;1-isoquinolin-4-yl-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 157230541
6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone
CID 157344839
(4aS,10bR)-9-bromo-1,2,4,4a,6,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-5-one;(4aS,10bR)-9-bromo-6-propan-2-yl-2,4,4a,10b-tetrahydro-1H-pyrano[3,4-c][1,8]naphthyridin-5-one
CID 157412701
5-(5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one;5-(5-bromo-3-pyridinyl)pyrrolidin-2-one;iodomethane;6-[5-(1-methyl-5-oxopyrrolidin-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 157645840

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one?
The IUPAC name of 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one (CID 159085673) is 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one.
What is the SMILES notation for 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one?
The canonical SMILES for 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one is CC(=O)C[C@H](C)c1cncc(Br)c1.CC(=O)N(C)[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CC(=O)N(C)[C@H](C)c1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21.
What is the InChIKey of 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one?
The InChIKey is KBKNAXHSQZDXHX-GOSIAHECSA-N. The full InChI is InChI=1S/C19H23N5O2.C10H13BrN2O.C10H12BrNO.C9H10BrN3O/c1-12(23(3)13(2)25)15-8-16(10-21-9-15)17-7-14-5-4-6-24(19(20)26)18(14)22-11-17;1-7(13(3)8(2)14)9-4-10(11)6-12-5-9;1-7(3-8(2)13)9-4-10(11)6-12-5-9;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7/h7-12H,4-6H2,1-3H3,(H2,20,26);4-7H,1-3H3;4-7H,3H2,1-2H3;4-5H,1-3H2,(H2,11,14)/t12-;2*7-;/m110./s1.
What are the key properties of 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one?
6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one has a molecular weight of 1108.78 g/mol, XLogP of 9.50, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1R)-1-[acetyl(methyl)amino]ethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[(1R)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylacetamide;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one is sourced from PubChem (CID 159085673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).