N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide

C26H24N4O4S — CID 10141100

IUPACN-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
InChIInChI=1S/C26H24N4O4S/c1-16(2)35(33,34)23-11-8-18(14-28-23)17-5-3-6-20(13-17)30-15-22(26(32)29-19-9-10-19)24(31)21-7-4-12-27-25(21)30/h3-8,11-16,19H,9-10H2,1-2H3,(H,29,32)
InChIKeyMAYSHBPOOKHIIM-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.52
Rot. Bonds6

About N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 10141100) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID10141100
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
InChIInChI=1S/C26H24N4O4S/c1-16(2)35(33,34)23-11-8-18(14-28-23)17-5-3-6-20(13-17)30-15-22(26(32)29-19-9-10-19)24(31)21-7-4-12-27-25(21)30/h3-8,11-16,19H,9-10H2,1-2H3,(H,29,32)
InChIKeyMAYSHBPOOKHIIM-UHFFFAOYSA-N
XLogP3.52
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[[2-[acetyl(methyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11316116
N-(3,5-dimethylphenyl)-2-[[2-(propanoylamino)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
CID 11339172
2-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11441583

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 10141100) is N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.
What is the InChIKey of N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is MAYSHBPOOKHIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-16(2)35(33,34)23-11-8-18(14-28-23)17-5-3-6-20(13-17)30-15-22(26(32)29-19-9-10-19)24(31)21-7-4-12-27-25(21)30/h3-8,11-16,19H,9-10H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-1-[3-(6-propan-2-ylsulfonyl-3-pyridinyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10141100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).