6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide

C13H17N5O2 — CID 124907211

IUPAC6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
SMILESCCCn1ncnc1[C@@H](C)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c1-3-7-18-12(14-8-15-18)9(2)16-13(20)10-5-4-6-11(19)17-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,20)(H,17,19)/t9-/m1/s1
InChIKeyJOOGUVRKZDDUGF-SECBINFHSA-N
MW275.31 g/mol
LogP0.87
Rot. Bonds5

About 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide

6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide (PubChem CID 124907211) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
PubChem CID124907211
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
SMILESCCCn1ncnc1[C@@H](C)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c1-3-7-18-12(14-8-15-18)9(2)16-13(20)10-5-4-6-11(19)17-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,20)(H,17,19)/t9-/m1/s1
InChIKeyJOOGUVRKZDDUGF-SECBINFHSA-N
XLogP0.87
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide (CID 124907211) is 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide is CCCn1ncnc1[C@@H](C)NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide?
The InChIKey is JOOGUVRKZDDUGF-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-7-18-12(14-8-15-18)9(2)16-13(20)10-5-4-6-11(19)17-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,20)(H,17,19)/t9-/m1/s1.
What are the key properties of 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide?
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 124907211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).