N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide

C13H17N5O2 — CID 70728441

IUPACN-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H17N5O2/c1-9(2)18-8-15-16-11(18)7-17(3)13(20)10-5-4-6-14-12(10)19/h4-6,8-9H,7H2,1-3H3,(H,14,19)
InChIKeySNNUKMNZRHAVPU-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.82
Rot. Bonds4

About N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide

N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 70728441) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID70728441
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCC(C)n1cnnc1CN(C)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H17N5O2/c1-9(2)18-8-15-16-11(18)7-17(3)13(20)10-5-4-6-14-12(10)19/h4-6,8-9H,7H2,1-3H3,(H,14,19)
InChIKeySNNUKMNZRHAVPU-UHFFFAOYSA-N
XLogP0.82
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide (CID 70728441) is N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide is CC(C)n1cnnc1CN(C)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is SNNUKMNZRHAVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9(2)18-8-15-16-11(18)7-17(3)13(20)10-5-4-6-14-12(10)19/h4-6,8-9H,7H2,1-3H3,(H,14,19).
What are the key properties of N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide?
N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70728441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).