N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide

C23H23N7O — CID 58103020

IUPACN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide
SMILESCC(C)c1cn(-c2cccc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)cn1
InChIInChI=1S/C23H23N7O/c1-15(2)20-12-29(13-24-20)18-6-3-5-16(11-18)23(31)27-21-8-4-7-19(26-21)22-28-25-14-30(22)17-9-10-17/h3-8,11-15,17H,9-10H2,1-2H3,(H,26,27,31)
InChIKeyMMQIDSMZFJLWGS-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.24
Rot. Bonds6

About N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide (PubChem CID 58103020) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide
PubChem CID58103020
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide
SMILESCC(C)c1cn(-c2cccc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)cn1
InChIInChI=1S/C23H23N7O/c1-15(2)20-12-29(13-24-20)18-6-3-5-16(11-18)23(31)27-21-8-4-7-19(26-21)22-28-25-14-30(22)17-9-10-17/h3-8,11-15,17H,9-10H2,1-2H3,(H,26,27,31)
InChIKeyMMQIDSMZFJLWGS-UHFFFAOYSA-N
XLogP4.24
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide?
The IUPAC name of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide (CID 58103020) is N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide?
The canonical SMILES for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide is CC(C)c1cn(-c2cccc(C(=O)Nc3cccc(-c4nncn4C4CC4)n3)c2)cn1.
What is the InChIKey of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide?
The InChIKey is MMQIDSMZFJLWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15(2)20-12-29(13-24-20)18-6-3-5-16(11-18)23(31)27-21-8-4-7-19(26-21)22-28-25-14-30(22)17-9-10-17/h3-8,11-15,17H,9-10H2,1-2H3,(H,26,27,31).
What are the key properties of N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide?
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide has a molecular weight of 413.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4-propan-2-ylimidazol-1-yl)benzamide is sourced from PubChem (CID 58103020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).