6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide

C29H30N4O3S — CID 20968590

IUPAC6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NC(C)c4ccccc4)c3c2)CC1
InChIInChI=1S/C29H30N4O3S/c1-20-12-15-33(16-13-20)37(35,36)24-10-11-27-25(17-24)26(18-28(32-27)23-9-6-14-30-19-23)29(34)31-21(2)22-7-4-3-5-8-22/h3-11,14,17-21H,12-13,15-16H2,1-2H3,(H,31,34)
InChIKeyPXVQGGMWCVVOJC-UHFFFAOYSA-N
MW514.65 g/mol
LogP5.21
Rot. Bonds6

About 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide

6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 20968590) has the molecular formula C29H30N4O3S and a molecular weight of 514.65 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID20968590
Molecular FormulaC29H30N4O3S
Molecular Weight514.65 g/mol
Exact Mass514.20
IUPAC Name6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NC(C)c4ccccc4)c3c2)CC1
InChIInChI=1S/C29H30N4O3S/c1-20-12-15-33(16-13-20)37(35,36)24-10-11-27-25(17-24)26(18-28(32-27)23-9-6-14-30-19-23)29(34)31-21(2)22-7-4-3-5-8-22/h3-11,14,17-21H,12-13,15-16H2,1-2H3,(H,31,34)
InChIKeyPXVQGGMWCVVOJC-UHFFFAOYSA-N
XLogP5.21
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-methylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53204657
6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 70343200
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968613
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
6-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968612
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43876623
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28575758
N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 20968660
4-(4-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-4-ylethyl)benzamide
CID 24542593
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 94018529
2-pyridin-2-yl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 24619819

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 20968590) is 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide is CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NC(C)c4ccccc4)c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is PXVQGGMWCVVOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3S/c1-20-12-15-33(16-13-20)37(35,36)24-10-11-27-25(17-24)26(18-28(32-27)23-9-6-14-30-19-23)29(34)31-21(2)22-7-4-3-5-8-22/h3-11,14,17-21H,12-13,15-16H2,1-2H3,(H,31,34).
What are the key properties of 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide?
6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 514.65 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 20968590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).