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

C24H20N4O4S — CID 10183035

IUPACN-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
InChIInChI=1S/C24H20N4O4S/c1-33(31,32)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)
InChIKeyQKSKLWMWPVDYJC-UHFFFAOYSA-N
MW460.52 g/mol
LogP2.74
Rot. Bonds5

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

N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10183035) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10183035
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC NameN-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
InChIInChI=1S/C24H20N4O4S/c1-33(31,32)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)
InChIKeyQKSKLWMWPVDYJC-UHFFFAOYSA-N
XLogP2.74
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 9932192
CID 9932192
CID 10113183
CID 10113183
CID 10115569
CID 10115569
CID 10274246
CID 10274246
CID 11188964
CID 11188964
CID 75201717
CID 75201717
CID 10110435
CID 10110435
CID 10136016
CID 10136016
CID 10199905
CID 10199905
CID 11316116
CID 11316116
CID 11339172
CID 11339172
CID 11441583
CID 11441583

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10183035) is N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CS(=O)(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.
What is the InChIKey of N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QKSKLWMWPVDYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-33(31,32)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-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(6-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10183035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).