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

C26H32N4O3S — CID 20968613

IUPACN-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12
InChIInChI=1S/C26H32N4O3S/c1-18(2)9-13-28-26(31)22-17-25(24-6-4-5-12-27-24)29-23-8-7-20(16-21(22)23)34(32,33)30-14-10-19(3)11-15-30/h4-8,12,16-19H,9-11,13-15H2,1-3H3,(H,28,31)
InChIKeyKCGKBOXDIZTBME-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.49
Rot. Bonds7

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

N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 20968613) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID20968613
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12
InChIInChI=1S/C26H32N4O3S/c1-18(2)9-13-28-26(31)22-17-25(24-6-4-5-12-27-24)29-23-8-7-20(16-21(22)23)34(32,33)30-14-10-19(3)11-15-30/h4-8,12,16-19H,9-11,13-15H2,1-3H3,(H,28,31)
InChIKeyKCGKBOXDIZTBME-UHFFFAOYSA-N
XLogP4.49
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968612
6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 70343200
6-(azepan-1-ylsulfonyl)-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 3969586
N-[3-(3-methylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53204657
N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 20968660
N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 70343236
6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 20968590
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 20964871
N-butyl-N-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-1-ium-2-ylquinoline-4-carboxamide
CID 3546220
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(3-methylbutyl)-5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53131877

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 20968613) is N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide is CC(C)CCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12.
What is the InChIKey of N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is KCGKBOXDIZTBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-18(2)9-13-28-26(31)22-17-25(24-6-4-5-12-27-24)29-23-8-7-20(16-21(22)23)34(32,33)30-14-10-19(3)11-15-30/h4-8,12,16-19H,9-11,13-15H2,1-3H3,(H,28,31).
What are the key properties of N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 20968613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).