2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide

C14H14N6O — CID 114326281

IUPAC2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2nnc3ccccn23)ccn1
InChIInChI=1S/C14H14N6O/c15-8-11-7-10(4-5-16-11)14(21)17-9-13-19-18-12-3-1-2-6-20(12)13/h1-7H,8-9,15H2,(H,17,21)
InChIKeyMKYPMBXTLYKOEP-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.51
Rot. Bonds4

About 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 114326281) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID114326281
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2nnc3ccccn23)ccn1
InChIInChI=1S/C14H14N6O/c15-8-11-7-10(4-5-16-11)14(21)17-9-13-19-18-12-3-1-2-6-20(12)13/h1-7H,8-9,15H2,(H,17,21)
InChIKeyMKYPMBXTLYKOEP-UHFFFAOYSA-N
XLogP0.51
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
2-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 51085895
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282806
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 114326281) is 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide is NCc1cc(C(=O)NCc2nnc3ccccn23)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is MKYPMBXTLYKOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-8-11-7-10(4-5-16-11)14(21)17-9-13-19-18-12-3-1-2-6-20(12)13/h1-7H,8-9,15H2,(H,17,21).
What are the key properties of 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).