N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

C20H26N4O2S — CID 68737088

IUPACN-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1
InChIInChI=1S/C20H26N4O2S/c1-3-5-15(2)22-19(25)16-7-8-18(21-14-16)23-9-11-24(12-10-23)20(26)17-6-4-13-27-17/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H,22,25)
InChIKeyHIRLBZQNYUSIAG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.02
Rot. Bonds6

About N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 68737088) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID68737088
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1
InChIInChI=1S/C20H26N4O2S/c1-3-5-15(2)22-19(25)16-7-8-18(21-14-16)23-9-11-24(12-10-23)20(26)17-6-4-13-27-17/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H,22,25)
InChIKeyHIRLBZQNYUSIAG-UHFFFAOYSA-N
XLogP3.02
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739534
N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739288
N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 133302669
6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 68738298
6-[4-[2-[4-[(1S)-cyclobut-2-en-1-yl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 143404324
6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 87555935
N-propan-2-yl-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
CID 168923141
6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-N-pentan-2-ylpyridine-3-carboxamide
CID 59818775
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 46515997

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 68737088) is N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1.
What is the InChIKey of N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is HIRLBZQNYUSIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-3-5-15(2)22-19(25)16-7-8-18(21-14-16)23-9-11-24(12-10-23)20(26)17-6-4-13-27-17/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68737088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).