N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide

C12H16N6O — CID 103883730

IUPACN,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ncn(C)n2)nc1
InChIInChI=1S/C12H16N6O/c1-17(2)12(19)9-4-5-10(13-6-9)14-7-11-15-8-18(3)16-11/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyQHTHNWVFQWULBT-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.52
Rot. Bonds4

About N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide

N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide (PubChem CID 103883730) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
PubChem CID103883730
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCc2ncn(C)n2)nc1
InChIInChI=1S/C12H16N6O/c1-17(2)12(19)9-4-5-10(13-6-9)14-7-11-15-8-18(3)16-11/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyQHTHNWVFQWULBT-UHFFFAOYSA-N
XLogP0.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
N,N-dimethyl-6-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
CID 78956358
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 114700898
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042
N,N-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 78955998
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide (CID 103883730) is N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCc2ncn(C)n2)nc1.
What is the InChIKey of N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is QHTHNWVFQWULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-17(2)12(19)9-4-5-10(13-6-9)14-7-11-15-8-18(3)16-11/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide?
N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 103883730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).