6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

C20H16N6O — CID 122590617

IUPAC6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESN#Cc1ccc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)cn3c2)cc1
InChIInChI=1S/C20H16N6O/c21-9-14-1-3-15(4-2-14)16-5-6-19-24-18(12-26(19)10-16)20(27)23-17-7-8-25(11-17)13-22/h1-6,10,12,17H,7-8,11H2,(H,23,27)/t17-/m1/s1
InChIKeyWYKHIWCVNQIOJE-QGZVFWFLSA-N
MW356.39 g/mol
LogP2.16
Rot. Bonds3

About 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 122590617) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID122590617
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESN#Cc1ccc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)cn3c2)cc1
InChIInChI=1S/C20H16N6O/c21-9-14-1-3-15(4-2-14)16-5-6-19-24-18(12-26(19)10-16)20(27)23-17-7-8-25(11-17)13-22/h1-6,10,12,17H,7-8,11H2,(H,23,27)/t17-/m1/s1
InChIKeyWYKHIWCVNQIOJE-QGZVFWFLSA-N
XLogP2.16
TPSA97.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 122590617) is 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is N#Cc1ccc(-c2ccc3nc(C(=O)N[C@@H]4CCN(C#N)C4)cn3c2)cc1.
What is the InChIKey of 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WYKHIWCVNQIOJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H16N6O/c21-9-14-1-3-15(4-2-14)16-5-6-19-24-18(12-26(19)10-16)20(27)23-17-7-8-25(11-17)13-22/h1-6,10,12,17H,7-8,11H2,(H,23,27)/t17-/m1/s1.
What are the key properties of 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-N-[(3R)-1-cyanopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 122590617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).