N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

C20H13ClN4O3 — CID 54722017

IUPACN-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C20H13ClN4O3/c21-15-9-8-12(11-23-15)24-19(27)16-17(26)14-7-4-10-22-18(14)25(20(16)28)13-5-2-1-3-6-13/h1-11,26H,(H,24,27)
InChIKeyCDRHLZVMNXPKIL-UHFFFAOYSA-N
MW392.80 g/mol
LogP3.39
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (PubChem CID 54722017) has the molecular formula C20H13ClN4O3 and a molecular weight of 392.80 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
PubChem CID54722017
Molecular FormulaC20H13ClN4O3
Molecular Weight392.80 g/mol
Exact Mass392.07
IUPAC NameN-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C20H13ClN4O3/c21-15-9-8-12(11-23-15)24-19(27)16-17(26)14-7-4-10-22-18(14)25(20(16)28)13-5-2-1-3-6-13/h1-11,26H,(H,24,27)
InChIKeyCDRHLZVMNXPKIL-UHFFFAOYSA-N
XLogP3.39
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (CID 54722017) is N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(Cl)nc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is CDRHLZVMNXPKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3/c21-15-9-8-12(11-23-15)24-19(27)16-17(26)14-7-4-10-22-18(14)25(20(16)28)13-5-2-1-3-6-13/h1-11,26H,(H,24,27).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 392.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54722017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).