N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C13H17N5O2 — CID 64511976

IUPACN,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)Cc2n[nH]c(C)n2)c(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c1-7-5-8(2)14-12(19)11(7)13(20)18(4)6-10-15-9(3)16-17-10/h5H,6H2,1-4H3,(H,14,19)(H,15,16,17)
InChIKeyPSWNCAXAUPVAAC-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.69
Rot. Bonds3

About N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 64511976) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID64511976
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)Cc2n[nH]c(C)n2)c(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c1-7-5-8(2)14-12(19)11(7)13(20)18(4)6-10-15-9(3)16-17-10/h5H,6H2,1-4H3,(H,14,19)(H,15,16,17)
InChIKeyPSWNCAXAUPVAAC-UHFFFAOYSA-N
XLogP0.69
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 64511976) is N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)N(C)Cc2n[nH]c(C)n2)c(=O)[nH]1.
What is the InChIKey of N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PSWNCAXAUPVAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7-5-8(2)14-12(19)11(7)13(20)18(4)6-10-15-9(3)16-17-10/h5H,6H2,1-4H3,(H,14,19)(H,15,16,17).
What are the key properties of N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 64511976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).