N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C18H20N6OS — CID 74247458

IUPACN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCN(Cc2cccs2)C1)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C18H20N6OS/c25-18(16-6-1-7-17(22-16)24-12-19-20-13-24)21-14-4-2-8-23(10-14)11-15-5-3-9-26-15/h1,3,5-7,9,12-14H,2,4,8,10-11H2,(H,21,25)
InChIKeyCWCSLLPKGHUQSK-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.12
Rot. Bonds5

About N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 74247458) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID74247458
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCCN(Cc2cccs2)C1)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C18H20N6OS/c25-18(16-6-1-7-17(22-16)24-12-19-20-13-24)21-14-4-2-8-23(10-14)11-15-5-3-9-26-15/h1,3,5-7,9,12-14H,2,4,8,10-11H2,(H,21,25)
InChIKeyCWCSLLPKGHUQSK-UHFFFAOYSA-N
XLogP2.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 56911223
4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 72909192
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427
5-acetyl-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 97438421
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
CID 131889341
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 131929491
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
N-(1-ethylpiperidin-3-yl)-6-fluoropyridine-2-carboxamide
CID 113323521
2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131895476
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74245609
methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate
CID 75589541

Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 74247458) is N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is O=C(NC1CCCN(Cc2cccs2)C1)c1cccc(-n2cnnc2)n1.
What is the InChIKey of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is CWCSLLPKGHUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(16-6-1-7-17(22-16)24-12-19-20-13-24)21-14-4-2-8-23(10-14)11-15-5-3-9-26-15/h1,3,5-7,9,12-14H,2,4,8,10-11H2,(H,21,25).
What are the key properties of N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 74247458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).