N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide

C23H17Cl2N3O2 — CID 175235115

IUPACN-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCc3cc(Cl)cc(Cl)c3)[nH]c(=O)c3ncccc23)cc1
InChIInChI=1S/C23H17Cl2N3O2/c1-13-4-6-15(7-5-13)19-18-3-2-8-26-20(18)23(30)28-21(19)22(29)27-12-14-9-16(24)11-17(25)10-14/h2-11H,12H2,1H3,(H,27,29)(H,28,30)
InChIKeyPGWZFNVMSZICKL-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.14
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide

N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide (PubChem CID 175235115) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide
PubChem CID175235115
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCc3cc(Cl)cc(Cl)c3)[nH]c(=O)c3ncccc23)cc1
InChIInChI=1S/C23H17Cl2N3O2/c1-13-4-6-15(7-5-13)19-18-3-2-8-26-20(18)23(30)28-21(19)22(29)27-12-14-9-16(24)11-17(25)10-14/h2-11H,12H2,1H3,(H,27,29)(H,28,30)
InChIKeyPGWZFNVMSZICKL-UHFFFAOYSA-N
XLogP5.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dichlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]-8-oxo-7H-1,7-naphthyridine-6-carboxamide
CID 174430033
5-(4-methylphenyl)-8-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrano[3,4-b]pyridine-6-carboxamide
CID 18387225
N-[(3,5-dimethylphenyl)methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide
CID 139935058
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-8-oxo-5-phenyl-7H-1,7-naphthyridine-6-carboxamide
CID 10458817
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide
CID 20816877
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
CID 10137646
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
7-[(3S)-4-hydroxy-3-methylbutyl]-5-(4-methylphenyl)-8-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-1,7-naphthyridine-6-carboxamide
CID 18661039
ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
CID 54696338
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide (CID 175235115) is N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide is Cc1ccc(-c2c(C(=O)NCc3cc(Cl)cc(Cl)c3)[nH]c(=O)c3ncccc23)cc1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide?
The InChIKey is PGWZFNVMSZICKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-13-4-6-15(7-5-13)19-18-3-2-8-26-20(18)23(30)28-21(19)22(29)27-12-14-9-16(24)11-17(25)10-14/h2-11H,12H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide has a molecular weight of 438.31 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-5-(4-methylphenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 175235115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).