N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide

C11H14N6O — CID 64518148

IUPACN-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)N(C)Cc2ncn[nH]2)c1
InChIInChI=1S/C11H14N6O/c1-12-8-3-4-13-9(5-8)11(18)17(2)6-10-14-7-15-16-10/h3-5,7H,6H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyKKAZEHYPXHBXSP-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.51
Rot. Bonds4

About N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide

N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 64518148) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID64518148
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)N(C)Cc2ncn[nH]2)c1
InChIInChI=1S/C11H14N6O/c1-12-8-3-4-13-9(5-8)11(18)17(2)6-10-14-7-15-16-10/h3-5,7H,6H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyKKAZEHYPXHBXSP-UHFFFAOYSA-N
XLogP0.51
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 64517368
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346
N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62179582
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64523791
6-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64519120
3,4,5-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511269
N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
CID 64510855
N-(cyclohexylmethyl)-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55047491
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide
CID 54884795

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (CID 64518148) is N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is CNc1ccnc(C(=O)N(C)Cc2ncn[nH]2)c1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KKAZEHYPXHBXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-12-8-3-4-13-9(5-8)11(18)17(2)6-10-14-7-15-16-10/h3-5,7H,6H2,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.51, 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-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 64518148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).