N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide

C17H22N6O — CID 138031965

IUPACN-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide
SMILESNC1CCN(c2cccc(CNC(=O)c3cnc(C4CC4)[nH]3)n2)C1
InChIInChI=1S/C17H22N6O/c18-12-6-7-23(10-12)15-3-1-2-13(21-15)8-20-17(24)14-9-19-16(22-14)11-4-5-11/h1-3,9,11-12H,4-8,10,18H2,(H,19,22)(H,20,24)
InChIKeyAJKARALXUBWLRW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.15
Rot. Bonds5

About N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide

N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide (PubChem CID 138031965) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide
PubChem CID138031965
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide
SMILESNC1CCN(c2cccc(CNC(=O)c3cnc(C4CC4)[nH]3)n2)C1
InChIInChI=1S/C17H22N6O/c18-12-6-7-23(10-12)15-3-1-2-13(21-15)8-20-17(24)14-9-19-16(22-14)11-4-5-11/h1-3,9,11-12H,4-8,10,18H2,(H,19,22)(H,20,24)
InChIKeyAJKARALXUBWLRW-UHFFFAOYSA-N
XLogP1.15
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide 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-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide (CID 138031965) is N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide is NC1CCN(c2cccc(CNC(=O)c3cnc(C4CC4)[nH]3)n2)C1.
What is the InChIKey of N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide?
The InChIKey is AJKARALXUBWLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c18-12-6-7-23(10-12)15-3-1-2-13(21-15)8-20-17(24)14-9-19-16(22-14)11-4-5-11/h1-3,9,11-12H,4-8,10,18H2,(H,19,22)(H,20,24).
What are the key properties of N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide?
N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-aminopyrrolidin-1-yl)-2-pyridinyl]methyl]-2-cyclopropyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 138031965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).