6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide

C29H24ClN5O2 — CID 137438360

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(-c2cc3c(=O)c(C(=O)NCCc4cccc(C)n4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C29H24ClN5O2/c1-17-7-6-10-21(33-17)11-12-31-29(37)24-16-32-28-23(27(24)36)15-22(20-13-18(2)34-25(30)14-20)26(35-28)19-8-4-3-5-9-19/h3-10,13-16H,11-12H2,1-2H3,(H,31,37)(H,32,35,36)
InChIKeyOJPSWSMWENWAGY-UHFFFAOYSA-N
MW510.00 g/mol
LogP5.29
Rot. Bonds6

About 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide

6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 137438360) has the molecular formula C29H24ClN5O2 and a molecular weight of 510.00 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
PubChem CID137438360
Molecular FormulaC29H24ClN5O2
Molecular Weight510.00 g/mol
Exact Mass509.16
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(-c2cc3c(=O)c(C(=O)NCCc4cccc(C)n4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C29H24ClN5O2/c1-17-7-6-10-21(33-17)11-12-31-29(37)24-16-32-28-23(27(24)36)15-22(20-13-18(2)34-25(30)14-20)26(35-28)19-8-4-3-5-9-19/h3-10,13-16H,11-12H2,1-2H3,(H,31,37)(H,32,35,36)
InChIKeyOJPSWSMWENWAGY-UHFFFAOYSA-N
XLogP5.29
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide (CID 137438360) is 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide is Cc1cc(-c2cc3c(=O)c(C(=O)NCCc4cccc(C)n4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is OJPSWSMWENWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN5O2/c1-17-7-6-10-21(33-17)11-12-31-29(37)24-16-32-28-23(27(24)36)15-22(20-13-18(2)34-25(30)14-20)26(35-28)19-8-4-3-5-9-19/h3-10,13-16H,11-12H2,1-2H3,(H,31,37)(H,32,35,36).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide?
6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 510.00 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 137438360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).