1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide

C21H16N4O2 — CID 70012845

IUPAC1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3ccncc3)c(=O)c3cccnc32)cc1
InChIInChI=1S/C21H16N4O2/c1-14-4-6-16(7-5-14)25-13-18(19(26)17-3-2-10-23-20(17)25)21(27)24-15-8-11-22-12-9-15/h2-13H,1H3,(H,22,24,27)
InChIKeyAHGXQIQHODBOBI-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide

1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 70012845) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
PubChem CID70012845
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3ccncc3)c(=O)c3cccnc32)cc1
InChIInChI=1S/C21H16N4O2/c1-14-4-6-16(7-5-14)25-13-18(19(26)17-3-2-10-23-20(17)25)21(27)24-15-8-11-22-12-9-15/h2-13H,1H3,(H,22,24,27)
InChIKeyAHGXQIQHODBOBI-UHFFFAOYSA-N
XLogP3.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide
CID 70012505
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70011012
1-(4-fluorophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 70011978
1-(4-fluorophenyl)-N-isoquinolin-1-yl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70011896
1-(4-fluorophenyl)-4-oxo-N-quinolin-2-yl-1,8-naphthyridine-3-carboxamide
CID 70012237
1-(4-fluorophenyl)-4-oxo-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 70011453
1-(4-bromophenyl)-4-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,8-naphthyridine-3-carboxamide
CID 155679209
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 70011543
1-(3-bromophenyl)-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 12991318
N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10206520
1-(3-bromophenyl)-4-oxo-N'-propan-2-yl-1,8-naphthyridine-3-carbohydrazide
CID 172761635

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide (CID 70012845) is 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3ccncc3)c(=O)c3cccnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is AHGXQIQHODBOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14-4-6-16(7-5-14)25-13-18(19(26)17-3-2-10-23-20(17)25)21(27)24-15-8-11-22-12-9-15/h2-13H,1H3,(H,22,24,27).
What are the key properties of 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide?
1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-oxo-N-pyridin-4-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 70012845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).