N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C17H19N5O — CID 74239187

IUPACN-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCN(CCCNC(=O)c1ccn2cnnc2c1)c1ccccc1
InChIInChI=1S/C17H19N5O/c1-21(15-6-3-2-4-7-15)10-5-9-18-17(23)14-8-11-22-13-19-20-16(22)12-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,18,23)
InChIKeyJWZDYUQHJDQXSE-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.99
Rot. Bonds6

About N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 74239187) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID74239187
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCN(CCCNC(=O)c1ccn2cnnc2c1)c1ccccc1
InChIInChI=1S/C17H19N5O/c1-21(15-6-3-2-4-7-15)10-5-9-18-17(23)14-8-11-22-13-19-20-16(22)12-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,18,23)
InChIKeyJWZDYUQHJDQXSE-UHFFFAOYSA-N
XLogP1.99
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 74239187) is N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is CN(CCCNC(=O)c1ccn2cnnc2c1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is JWZDYUQHJDQXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21(15-6-3-2-4-7-15)10-5-9-18-17(23)14-8-11-22-13-19-20-16(22)12-14/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,18,23).
What are the key properties of N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 74239187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).