N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C19H18N6O — CID 165414912

IUPACN-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2cnnc12
InChIInChI=1S/C19H18N6O/c1-24-12-16(14-6-3-2-4-7-14)22-17(24)9-10-20-19(26)15-8-5-11-25-13-21-23-18(15)25/h2-8,11-13H,9-10H2,1H3,(H,20,26)
InChIKeyNRSQIUWJLCFPAG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.10
Rot. Bonds5

About N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 165414912) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID165414912
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2cnnc12
InChIInChI=1S/C19H18N6O/c1-24-12-16(14-6-3-2-4-7-14)22-17(24)9-10-20-19(26)15-8-5-11-25-13-21-23-18(15)25/h2-8,11-13H,9-10H2,1H3,(H,20,26)
InChIKeyNRSQIUWJLCFPAG-UHFFFAOYSA-N
XLogP2.10
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 165414912) is N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cn1cc(-c2ccccc2)nc1CCNC(=O)c1cccn2cnnc12.
What is the InChIKey of N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is NRSQIUWJLCFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-24-12-16(14-6-3-2-4-7-14)22-17(24)9-10-20-19(26)15-8-5-11-25-13-21-23-18(15)25/h2-8,11-13H,9-10H2,1H3,(H,20,26).
What are the key properties of N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 165414912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).