N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide

C23H18N4O2 — CID 10199905

IUPACN-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccncc3)c2)c2ncccc2c1=O
InChIInChI=1S/C23H18N4O2/c28-21-19-5-2-10-25-22(19)27(14-20(21)23(29)26-17-6-7-17)18-4-1-3-16(13-18)15-8-11-24-12-9-15/h1-5,8-14,17H,6-7H2,(H,26,29)
InChIKeyRMLOAIHVDWDKRS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.34
Rot. Bonds4

About N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 10199905) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID10199905
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccncc3)c2)c2ncccc2c1=O
InChIInChI=1S/C23H18N4O2/c28-21-19-5-2-10-25-22(19)27(14-20(21)23(29)26-17-6-7-17)18-4-1-3-16(13-18)15-8-11-24-12-9-15/h1-5,8-14,17H,6-7H2,(H,26,29)
InChIKeyRMLOAIHVDWDKRS-UHFFFAOYSA-N
XLogP3.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mk-0873
CID 9919680
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
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N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
XL888
CID 57748689
BPKDi
CID 46901383
5-((R)-sec-Butylamino)-N1-((1R,3S,5S)-8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo(3.2.1)octan-3-yl)-2-methylterephthalamide
CID 60147023
2-(butan-2-ylamino)-4-N-[8-[5-(cyclopropanecarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylbenzene-1,4-dicarboxamide
CID 121595951
MK-0952
CID 11755033
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
AF-DX-384
CID 119357
13-Benzyl-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470723
2-Ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470725

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide (CID 10199905) is N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(-c3ccncc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is RMLOAIHVDWDKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-21-19-5-2-10-25-22(19)27(14-20(21)23(29)26-17-6-7-17)18-4-1-3-16(13-18)15-8-11-24-12-9-15/h1-5,8-14,17H,6-7H2,(H,26,29).
What are the key properties of N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-1-(3-pyridin-4-ylphenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10199905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).