3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C19H25N5OS — CID 74246648

IUPAC3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCSCC2)CC1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C19H25N5OS/c25-19(18-13-17(22-23-18)16-3-1-2-8-20-16)21-14-4-9-24(10-5-14)15-6-11-26-12-7-15/h1-3,8,13-15H,4-7,9-12H2,(H,21,25)(H,22,23)
InChIKeyNKDLLZKCKAGKPV-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.56
Rot. Bonds4

About 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 74246648) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID74246648
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCSCC2)CC1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C19H25N5OS/c25-19(18-13-17(22-23-18)16-3-1-2-8-20-16)21-14-4-9-24(10-5-14)15-6-11-26-12-7-15/h1-3,8,13-15H,4-7,9-12H2,(H,21,25)(H,22,23)
InChIKeyNKDLLZKCKAGKPV-UHFFFAOYSA-N
XLogP2.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74237167
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N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
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(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
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N-[(3R,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxypiperidin-3-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 146042002
3-pyridin-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
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N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
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3-amino-N-(1-cyclopropylpiperidin-4-yl)pyridine-2-carboxamide
CID 104741372
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 74246648) is 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(C2CCSCC2)CC1)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is NKDLLZKCKAGKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c25-19(18-13-17(22-23-18)16-3-1-2-8-20-16)21-14-4-9-24(10-5-14)15-6-11-26-12-7-15/h1-3,8,13-15H,4-7,9-12H2,(H,21,25)(H,22,23).
What are the key properties of 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74246648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).