6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C45H53Br3N10O4 — CID 161134597

IUPAC6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)C[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CC(=O)C[C@H](C)c1cncc(Br)c1.C[C@@H](N)c1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21
InChIInChI=1S/C19H22N4O2.C10H12BrNO.C9H10BrN3O.C7H9BrN2/c1-12(6-13(2)24)15-8-16(10-21-9-15)17-7-14-4-3-5-23(19(20)25)18(14)22-11-17;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;1-5(9)6-2-7(8)4-10-3-6/h7-12H,3-6H2,1-2H3,(H2,20,25);4-7H,3H2,1-2H3;4-5H,1-3H2,(H2,11,14);2-5H,9H2,1H3/t12-;7-;;5-/m00.1/s1
InChIKeyUMPYCPOVEMRTTA-FIJJZMCZSA-N
MW1037.70 g/mol
LogP9.52
Rot. Bonds8

About 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 161134597) has the molecular formula C45H53Br3N10O4 and a molecular weight of 1037.70 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID161134597
Molecular FormulaC45H53Br3N10O4
Molecular Weight1037.70 g/mol
Exact Mass1034.18
IUPAC Name6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)C[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CC(=O)C[C@H](C)c1cncc(Br)c1.C[C@@H](N)c1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21
InChIInChI=1S/C19H22N4O2.C10H12BrNO.C9H10BrN3O.C7H9BrN2/c1-12(6-13(2)24)15-8-16(10-21-9-15)17-7-14-4-3-5-23(19(20)25)18(14)22-11-17;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;1-5(9)6-2-7(8)4-10-3-6/h7-12H,3-6H2,1-2H3,(H2,20,25);4-7H,3H2,1-2H3;4-5H,1-3H2,(H2,11,14);2-5H,9H2,1H3/t12-;7-;;5-/m00.1/s1
InChIKeyUMPYCPOVEMRTTA-FIJJZMCZSA-N
XLogP9.52
TPSA217.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.70
LogP ≤ 59.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Launch Full Analysis

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
(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
trans-(1R,2R)-N-[8-[[3-[1-amino-6-(methylcarbamoylamino)-2,7-naphthyridin-3-yl]-4-pyridinyl]methylamino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 142447477
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-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 161134597) is 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)C[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CC(=O)C[C@H](C)c1cncc(Br)c1.C[C@@H](N)c1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is UMPYCPOVEMRTTA-FIJJZMCZSA-N. The full InChI is InChI=1S/C19H22N4O2.C10H12BrNO.C9H10BrN3O.C7H9BrN2/c1-12(6-13(2)24)15-8-16(10-21-9-15)17-7-14-4-3-5-23(19(20)25)18(14)22-11-17;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;1-5(9)6-2-7(8)4-10-3-6/h7-12H,3-6H2,1-2H3,(H2,20,25);4-7H,3H2,1-2H3;4-5H,1-3H2,(H2,11,14);2-5H,9H2,1H3/t12-;7-;;5-/m00.1/s1.
What are the key properties of 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1037.70 g/mol, XLogP of 9.52, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;(4S)-4-(5-bromo-3-pyridinyl)pentan-2-one;6-[5-[(2S)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 161134597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).