N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine

C22H19N5 — CID 150771681

IUPACN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine
SMILESc1ccc(-c2ccnc(Nc3cccc(-c4nncn4C4CC4)c3)c2)cc1
InChIInChI=1S/C22H19N5/c1-2-5-16(6-3-1)17-11-12-23-21(14-17)25-19-8-4-7-18(13-19)22-26-24-15-27(22)20-9-10-20/h1-8,11-15,20H,9-10H2,(H,23,25)
InChIKeyJZZMUXUDANVXCC-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.09
Rot. Bonds5

About N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine (PubChem CID 150771681) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine
PubChem CID150771681
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine
SMILESc1ccc(-c2ccnc(Nc3cccc(-c4nncn4C4CC4)c3)c2)cc1
InChIInChI=1S/C22H19N5/c1-2-5-16(6-3-1)17-11-12-23-21(14-17)25-19-8-4-7-18(13-19)22-26-24-15-27(22)20-9-10-20/h1-8,11-15,20H,9-10H2,(H,23,25)
InChIKeyJZZMUXUDANVXCC-UHFFFAOYSA-N
XLogP5.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-[(4-phenyl-2-pyridinyl)methyl]aniline
CID 163816711
4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 66900294
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(4-phenylimidazol-1-yl)pyridin-1-ium-1-amine
CID 151538540
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365529
4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 58103028
4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 58102924
[3-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]-[4-(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-2-pyridinyl]methanol
CID 123486018
4-(6-cyclopropyl-3-pyridinyl)-N-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 58102917
4-[6-(cyclobutylmethyl)-3-pyridinyl]-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 158914878
4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridin-1-ium-1-amine
CID 150313235
4-[(1E)-1-[(2-amino-2-oxoethylidene)amino]buta-1,3-dien-2-yl]-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 163673985

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine?
The IUPAC name of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine (CID 150771681) is N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine.
What is the SMILES notation for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine?
The canonical SMILES for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine is c1ccc(-c2ccnc(Nc3cccc(-c4nncn4C4CC4)c3)c2)cc1.
What is the InChIKey of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine?
The InChIKey is JZZMUXUDANVXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-5-16(6-3-1)17-11-12-23-21(14-17)25-19-8-4-7-18(13-19)22-26-24-15-27(22)20-9-10-20/h1-8,11-15,20H,9-10H2,(H,23,25).
What are the key properties of N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine?
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine has a molecular weight of 353.43 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine is sourced from PubChem (CID 150771681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).