1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

C24H22N4O4S — CID 10226614

IUPAC1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)c2ncccc2c1=O
InChIInChI=1S/C24H22N4O4S/c1-15(2)27-24(30)21-14-28(23-20(22(21)29)8-5-9-26-23)18-7-4-6-16(10-18)17-11-19(13-25-12-17)33(3,31)32/h4-15H,1-3H3,(H,27,30)
InChIKeyMMQVFWMCMQCCLV-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.99
Rot. Bonds5

About 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 10226614) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID10226614
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)c2ncccc2c1=O
InChIInChI=1S/C24H22N4O4S/c1-15(2)27-24(30)21-14-28(23-20(22(21)29)8-5-9-26-23)18-7-4-6-16(10-18)17-11-19(13-25-12-17)33(3,31)32/h4-15H,1-3H3,(H,27,30)
InChIKeyMMQVFWMCMQCCLV-UHFFFAOYSA-N
XLogP2.99
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 10226614) is 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is CC(C)NC(=O)c1cn(-c2cccc(-c3cncc(S(C)(=O)=O)c3)c2)c2ncccc2c1=O.
What is the InChIKey of 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is MMQVFWMCMQCCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-15(2)27-24(30)21-14-28(23-20(22(21)29)8-5-9-26-23)18-7-4-6-16(10-18)17-11-19(13-25-12-17)33(3,31)32/h4-15H,1-3H3,(H,27,30).
What are the key properties of 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylsulfonyl-3-pyridinyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10226614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).