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

C12H16N6O — CID 64517368

IUPACN-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)N(C)Cc2n[nH]c(C)n2)c1
InChIInChI=1S/C12H16N6O/c1-8-15-11(17-16-8)7-18(3)12(19)10-6-9(13-2)4-5-14-10/h4-6H,7H2,1-3H3,(H,13,14)(H,15,16,17)
InChIKeyQUXDSZVWIUJMMN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.82
Rot. Bonds4

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

N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 64517368) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID64517368
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)N(C)Cc2n[nH]c(C)n2)c1
InChIInChI=1S/C12H16N6O/c1-8-15-11(17-16-8)7-18(3)12(19)10-6-9(13-2)4-5-14-10/h4-6H,7H2,1-3H3,(H,13,14)(H,15,16,17)
InChIKeyQUXDSZVWIUJMMN-UHFFFAOYSA-N
XLogP0.82
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (CID 64517368) is N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is CNc1ccnc(C(=O)N(C)Cc2n[nH]c(C)n2)c1.
What is the InChIKey of N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is QUXDSZVWIUJMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8-15-11(17-16-8)7-18(3)12(19)10-6-9(13-2)4-5-14-10/h4-6H,7H2,1-3H3,(H,13,14)(H,15,16,17).
What are the key properties of N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 64517368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).