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

C20H14ClN5O2 — CID 7621241

IUPAC1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ncccn1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H14ClN5O2/c21-15-6-4-13(5-7-15)12-26-17-14(3-1-8-22-17)11-16(19(26)28)18(27)25-20-23-9-2-10-24-20/h1-11H,12H2,(H,23,24,25,27)
InChIKeyIJUIGKYHXSCYCF-UHFFFAOYSA-N
MW391.82 g/mol
LogP3.14
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 7621241) has the molecular formula C20H14ClN5O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID7621241
Molecular FormulaC20H14ClN5O2
Molecular Weight391.82 g/mol
Exact Mass391.08
IUPAC Name1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ncccn1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H14ClN5O2/c21-15-6-4-13(5-7-15)12-26-17-14(3-1-8-22-17)11-16(19(26)28)18(27)25-20-23-9-2-10-24-20/h1-11H,12H2,(H,23,24,25,27)
InChIKeyIJUIGKYHXSCYCF-UHFFFAOYSA-N
XLogP3.14
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996288
N-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996287
1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide
CID 43996302
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxamide
CID 43996367
1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844238
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
1-[(4-chlorophenyl)methyl]-N-cycloheptyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621189
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996326
1-[(4-chlorophenyl)methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996361
N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620786

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide (CID 7621241) is 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide is O=C(Nc1ncccn1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is IJUIGKYHXSCYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2/c21-15-6-4-13(5-7-15)12-26-17-14(3-1-8-22-17)11-16(19(26)28)18(27)25-20-23-9-2-10-24-20/h1-11H,12H2,(H,23,24,25,27).
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 391.82 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7621241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).