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

C11H14N6O — CID 104641538

IUPAC5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCc2ncn[nH]2)nc1
InChIInChI=1S/C11H14N6O/c1-12-8-2-3-9(14-6-8)11(18)13-5-4-10-15-7-16-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,18)(H,15,16,17)
InChIKeyMCIBPGXJTHWELG-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.21
Rot. Bonds5

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

5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide (PubChem CID 104641538) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
PubChem CID104641538
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCc2ncn[nH]2)nc1
InChIInChI=1S/C11H14N6O/c1-12-8-2-3-9(14-6-8)11(18)13-5-4-10-15-7-16-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,18)(H,15,16,17)
InChIKeyMCIBPGXJTHWELG-UHFFFAOYSA-N
XLogP0.21
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64523789
5-(3-hydroxyprop-1-ynyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 64525735
5-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 104640377
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447
5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 104642847
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 64523559
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 64523985
5-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 104641287
2-chloro-6-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 114219584

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide (CID 104641538) is 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide is CNc1ccc(C(=O)NCCc2ncn[nH]2)nc1.
What is the InChIKey of 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is MCIBPGXJTHWELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-12-8-2-3-9(14-6-8)11(18)13-5-4-10-15-7-16-17-10/h2-3,6-7,12H,4-5H2,1H3,(H,13,18)(H,15,16,17).
What are the key properties of 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide?
5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104641538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).