N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide

C51H39Br2F4N9O3 — CID 161411118

IUPACN-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(Br)cc1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(Br)c1.O=C(NCc1ccc(F)cc1)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/2C17H14BrN3O.C17H11F4N3O/c1-11-15(9-13-5-3-7-19-16(13)21-11)17(22)20-10-12-4-2-6-14(18)8-12;1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12;18-12-5-3-10(4-6-12)9-23-16(25)13-8-11-2-1-7-22-15(11)24-14(13)17(19,20)21/h2*2-9H,10H2,1H3,(H,20,22);1-8H,9H2,(H,23,25)
InChIKeyVVMDIUQATVURAW-UHFFFAOYSA-N
MW1061.73 g/mol
LogP10.98
Rot. Bonds9

About N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide

N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 161411118) has the molecular formula C51H39Br2F4N9O3 and a molecular weight of 1061.73 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
PubChem CID161411118
Molecular FormulaC51H39Br2F4N9O3
Molecular Weight1061.73 g/mol
Exact Mass1059.15
IUPAC NameN-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(Br)cc1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(Br)c1.O=C(NCc1ccc(F)cc1)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/2C17H14BrN3O.C17H11F4N3O/c1-11-15(9-13-5-3-7-19-16(13)21-11)17(22)20-10-12-4-2-6-14(18)8-12;1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12;18-12-5-3-10(4-6-12)9-23-16(25)13-8-11-2-1-7-22-15(11)24-14(13)17(19,20)21/h2*2-9H,10H2,1H3,(H,20,22);1-8H,9H2,(H,23,25)
InChIKeyVVMDIUQATVURAW-UHFFFAOYSA-N
XLogP10.98
TPSA164.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.73
LogP ≤ 510.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

(6-Fluoroquinolin-3-yl)(4-(4-methyl-6-(4-(trifluoromethyl)pyridin-2-ylamino)-2,3'-bipyridin-6'-ylamino)piperidin-1-yl)methanone
CID 71003456
N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 4199798
6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide
CID 11353805
(4-((4-Bromo-2-fluorophenyl)amino)-7-methyl-1,8-naphthyridin-3-yl)(3-methylpiperidin-1-yl)methanone
CID 49660665
(4-((4-Bromophenyl)amino)-7-methyl-1,8-naphthyridin-3-yl)(4-methylpiperidin-1-yl)methanone
CID 49660696
[4-(4-bromo-2-fluorophenylamino)-7-methyl-1,8-diaza-3-naphthyl][(S)-3-methyl-1-piperidyl]methanone
CID 52313331
N-[[4-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46908198
4-[[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 53372594
4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one
CID 56592122
4-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one
CID 56592813
6-(3-Fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-2-yl-4-piperidinyl)-3-pyridinecarboxamide
CID 67267466
6-(3-Fluorophenyl)-N-(1-pyrido[2,3-d]pyrimidin-4-yl-4-piperidinyl)-3-pyridinecarboxamide
CID 67268218

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide (CID 161411118) is N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(Br)cc1.Cc1nc2ncccc2cc1C(=O)NCc1cccc(Br)c1.O=C(NCc1ccc(F)cc1)c1cc2cccnc2nc1C(F)(F)F.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is VVMDIUQATVURAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14BrN3O.C17H11F4N3O/c1-11-15(9-13-5-3-7-19-16(13)21-11)17(22)20-10-12-4-2-6-14(18)8-12;1-11-15(9-13-3-2-8-19-16(13)21-11)17(22)20-10-12-4-6-14(18)7-5-12;18-12-5-3-10(4-6-12)9-23-16(25)13-8-11-2-1-7-22-15(11)24-14(13)17(19,20)21/h2*2-9H,10H2,1H3,(H,20,22);1-8H,9H2,(H,23,25).
What are the key properties of N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 1061.73 g/mol, XLogP of 10.98, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 161411118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).