(3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C15H17N7O — CID 125168413

IUPAC(3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)Nc3ccc(C#N)nc3)C2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-10-18-14(21-20-10)11-3-2-6-22(9-11)15(23)19-13-5-4-12(7-16)17-8-13/h4-5,8,11H,2-3,6,9H2,1H3,(H,19,23)(H,18,20,21)/t11-/m1/s1
InChIKeyTVFFWIIBKKGWOX-LLVKDONJSA-N
MW311.35 g/mol
LogP1.79
Rot. Bonds2

About (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

(3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 125168413) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID125168413
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name(3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)Nc3ccc(C#N)nc3)C2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-10-18-14(21-20-10)11-3-2-6-22(9-11)15(23)19-13-5-4-12(7-16)17-8-13/h4-5,8,11H,2-3,6,9H2,1H3,(H,19,23)(H,18,20,21)/t11-/m1/s1
InChIKeyTVFFWIIBKKGWOX-LLVKDONJSA-N
XLogP1.79
TPSA110.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 125168413) is (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc(C#N)nc3)C2)n[nH]1.
What is the InChIKey of (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is TVFFWIIBKKGWOX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10-18-14(21-20-10)11-3-2-6-22(9-11)15(23)19-13-5-4-12(7-16)17-8-13/h4-5,8,11H,2-3,6,9H2,1H3,(H,19,23)(H,18,20,21)/t11-/m1/s1.
What are the key properties of (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
(3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125168413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).