N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

C22H16ClN3O3 — CID 54733631

IUPACN-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C22H16ClN3O3/c23-15-10-8-14(9-11-15)13-25-21(28)18-19(27)17-7-4-12-24-20(17)26(22(18)29)16-5-2-1-3-6-16/h1-12,27H,13H2,(H,25,28)
InChIKeyKTTHJNDLLIFJPC-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.67
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (PubChem CID 54733631) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
PubChem CID54733631
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C22H16ClN3O3/c23-15-10-8-14(9-11-15)13-25-21(28)18-19(27)17-7-4-12-24-20(17)26(22(18)29)16-5-2-1-3-6-16/h1-12,27H,13H2,(H,25,28)
InChIKeyKTTHJNDLLIFJPC-UHFFFAOYSA-N
XLogP3.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (CID 54733631) is N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is KTTHJNDLLIFJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-15-10-8-14(9-11-15)13-25-21(28)18-19(27)17-7-4-12-24-20(17)26(22(18)29)16-5-2-1-3-6-16/h1-12,27H,13H2,(H,25,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54733631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).