8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone

C40H36Cl2N8O3 — CID 158393333

IUPAC8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
SMILESCC1(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)CCC(=O)N1.O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCNCC1
InChIInChI=1S/C21H19ClN4O2.C19H17ClN4O/c1-21(9-8-18(27)26-21)12-24-20(28)17-7-4-14-10-23-11-16(19(14)25-17)13-2-5-15(22)6-3-13;20-15-4-1-13(2-5-15)16-12-22-11-14-3-6-17(23-18(14)16)19(25)24-9-7-21-8-10-24/h2-7,10-11H,8-9,12H2,1H3,(H,24,28)(H,26,27);1-6,11-12,21H,7-10H2
InChIKeyGXFVGMCQSJBRTN-UHFFFAOYSA-N
MW747.69 g/mol
LogP6.34
Rot. Bonds6

About 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone

8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone (PubChem CID 158393333) has the molecular formula C40H36Cl2N8O3 and a molecular weight of 747.69 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
PubChem CID158393333
Molecular FormulaC40H36Cl2N8O3
Molecular Weight747.69 g/mol
Exact Mass746.23
IUPAC Name8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
SMILESCC1(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)CCC(=O)N1.O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCNCC1
InChIInChI=1S/C21H19ClN4O2.C19H17ClN4O/c1-21(9-8-18(27)26-21)12-24-20(28)17-7-4-14-10-23-11-16(19(14)25-17)13-2-5-15(22)6-3-13;20-15-4-1-13(2-5-15)16-12-22-11-14-3-6-17(23-18(14)16)19(25)24-9-7-21-8-10-24/h2-7,10-11H,8-9,12H2,1H3,(H,24,28)(H,26,27);1-6,11-12,21H,7-10H2
InChIKeyGXFVGMCQSJBRTN-UHFFFAOYSA-N
XLogP6.34
TPSA142.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.69
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
CID 118665734
[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 75203887
8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 75204137
2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 129024460
8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 159045768
[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 118077777
8-(4-chlorophenyl)-N-methylsulfonyl-1,6-naphthyridine-2-carbohydrazide
CID 175291165
8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide
CID 75204375
(8-phenyl-1,6-naphthyridin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3378385
(6-chloropyrazin-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 118279345
[8-(1-benzofuran-2-yl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone;N-(2-methoxyethyl)-8-phenyl-1,6-naphthyridine-2-carboxamide;[6-(trifluoromethyl)-3-pyridinyl]methylazanide
CID 157091084
8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 90178363

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone (CID 158393333) is 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone is CC1(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)CCC(=O)N1.O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCNCC1.
What is the InChIKey of 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is GXFVGMCQSJBRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2.C19H17ClN4O/c1-21(9-8-18(27)26-21)12-24-20(28)17-7-4-14-10-23-11-16(19(14)25-17)13-2-5-15(22)6-3-13;20-15-4-1-13(2-5-15)16-12-22-11-14-3-6-17(23-18(14)16)19(25)24-9-7-21-8-10-24/h2-7,10-11H,8-9,12H2,1H3,(H,24,28)(H,26,27);1-6,11-12,21H,7-10H2.
What are the key properties of 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone?
8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 747.69 g/mol, XLogP of 6.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 158393333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).