2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide

C18H18N6OS — CID 55871239

IUPAC2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1cccnc1SC1CCCC1
InChIInChI=1S/C18H18N6OS/c25-17(15-6-3-9-20-18(15)26-14-4-1-2-5-14)23-13-7-8-16(21-10-13)24-12-19-11-22-24/h3,6-12,14H,1-2,4-5H2,(H,23,25)
InChIKeyLMAVNLYIPCDFNF-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.34
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 55871239) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID55871239
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1cccnc1SC1CCCC1
InChIInChI=1S/C18H18N6OS/c25-17(15-6-3-9-20-18(15)26-14-4-1-2-5-14)23-13-7-8-16(21-10-13)24-12-19-11-22-24/h3,6-12,14H,1-2,4-5H2,(H,23,25)
InChIKeyLMAVNLYIPCDFNF-UHFFFAOYSA-N
XLogP3.34
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 104741251
2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55875231
N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55874481
2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 166240278
2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 55876154
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 55566962
2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 55873414
2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55874183
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55872578
(4aS,8aR)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 95126743
5-phenoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 154841045

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide (CID 55871239) is 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)c1cccnc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is LMAVNLYIPCDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-17(15-6-3-9-20-18(15)26-14-4-1-2-5-14)23-13-7-8-16(21-10-13)24-12-19-11-22-24/h3,6-12,14H,1-2,4-5H2,(H,23,25).
What are the key properties of 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 55871239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).