N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C24H20N4O3S — CID 142186908

IUPACN-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCS(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
InChIInChI=1S/C24H20N4O3S/c1-32(31)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28/h2-7,10-14,17H,8-9H2,1H3,(H,27,30)
InChIKeyJMQUUJVXRWLQLA-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.08
Rot. Bonds5

About N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 142186908) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID142186908
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC NameN-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCS(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
InChIInChI=1S/C24H20N4O3S/c1-32(31)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28/h2-7,10-14,17H,8-9H2,1H3,(H,27,30)
InChIKeyJMQUUJVXRWLQLA-UHFFFAOYSA-N
XLogP3.08
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Mk-0873
CID 9919680
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
n-Isopropyl-1-[3-(4-methylsulfonylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10115569
N-Isopropyl-1-[3-(4-methylthiophenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10274246
2-(2-Acetylaminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11188964
N-cyclopropyl-4-oxo-1-(3-(pyridin-3-yl)phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10110435
N-cyclopropyl-4-oxo-1-(3-(2-(pyridin-3-yl)ethynyl)phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10136016
N-cyclopropyl-1-(3-(6-(methylsulfonyl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10183035
N-cyclopropyl-4-oxo-1-(3-(pyridin-4-yl)phenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10199905
2-(2-aminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11164406
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11247914

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 142186908) is N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CS(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.
What is the InChIKey of N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JMQUUJVXRWLQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-32(31)21-10-7-16(13-26-21)15-4-2-5-18(12-15)28-14-20(24(30)27-17-8-9-17)22(29)19-6-3-11-25-23(19)28/h2-7,10-14,17H,8-9H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(6-methylsulfinyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 142186908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).