1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C24H28N4O5S — CID 4833757

IUPAC1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H28N4O5S/c1-4-27-15-19(22(29)18-10-8-16(2)25-23(18)27)24(30)26-17-9-11-20(33-3)21(14-17)34(31,32)28-12-6-5-7-13-28/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,26,30)
InChIKeyNLVPWPDDZFUHAN-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.16
Rot. Bonds6

About 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 4833757) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID4833757
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H28N4O5S/c1-4-27-15-19(22(29)18-10-8-16(2)25-23(18)27)24(30)26-17-9-11-20(33-3)21(14-17)34(31,32)28-12-6-5-7-13-28/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,26,30)
InChIKeyNLVPWPDDZFUHAN-UHFFFAOYSA-N
XLogP3.16
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 4833757) is 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is NLVPWPDDZFUHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-4-27-15-19(22(29)18-10-8-16(2)25-23(18)27)24(30)26-17-9-11-20(33-3)21(14-17)34(31,32)28-12-6-5-7-13-28/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,26,30).
What are the key properties of 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 4833757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).