2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide

C17H15N5O — CID 134025012

IUPAC2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C17H15N5O/c1-11-16(12-6-2-3-7-13(12)19-11)17(23)18-10-15-21-20-14-8-4-5-9-22(14)15/h2-9,19H,10H2,1H3,(H,18,23)
InChIKeyPDSVIESTZAUCML-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.45
Rot. Bonds3

About 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide

2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 134025012) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide
PubChem CID134025012
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C17H15N5O/c1-11-16(12-6-2-3-7-13(12)19-11)17(23)18-10-15-21-20-14-8-4-5-9-22(14)15/h2-9,19H,10H2,1H3,(H,18,23)
InChIKeyPDSVIESTZAUCML-UHFFFAOYSA-N
XLogP2.45
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 51187269
2-bromo-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 115678518
2-(1-methylindol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 71702217
N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 71977706
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide (CID 134025012) is 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NCc1nnc2ccccn12.
What is the InChIKey of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide?
The InChIKey is PDSVIESTZAUCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-16(12-6-2-3-7-13(12)19-11)17(23)18-10-15-21-20-14-8-4-5-9-22(14)15/h2-9,19H,10H2,1H3,(H,18,23).
What are the key properties of 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide?
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 134025012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).