6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

C14H16N6O — CID 125164685

IUPAC6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCC(C)n1cnnc1[C@@H](C)NC(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H16N6O/c1-9(2)20-8-17-19-13(20)10(3)18-14(21)11-4-5-12(6-15)16-7-11/h4-5,7-10H,1-3H3,(H,18,21)/t10-/m1/s1
InChIKeyANHGXMLTZWFDQL-SNVBAGLBSA-N
MW284.32 g/mol
LogP1.62
Rot. Bonds4

About 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 125164685) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID125164685
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCC(C)n1cnnc1[C@@H](C)NC(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H16N6O/c1-9(2)20-8-17-19-13(20)10(3)18-14(21)11-4-5-12(6-15)16-7-11/h4-5,7-10H,1-3H3,(H,18,21)/t10-/m1/s1
InChIKeyANHGXMLTZWFDQL-SNVBAGLBSA-N
XLogP1.62
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide (CID 125164685) is 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide is CC(C)n1cnnc1[C@@H](C)NC(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is ANHGXMLTZWFDQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9(2)20-8-17-19-13(20)10(3)18-14(21)11-4-5-12(6-15)16-7-11/h4-5,7-10H,1-3H3,(H,18,21)/t10-/m1/s1.
What are the key properties of 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 125164685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).