2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide

C20H20N4O — CID 51091899

IUPAC2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CC1c1ccccc1
InChIInChI=1S/C20H20N4O/c1-14(17-12-18(17)15-5-3-2-4-6-15)23-20(25)16-7-8-22-19(11-16)24-10-9-21-13-24/h2-11,13-14,17-18H,12H2,1H3,(H,23,25)
InChIKeyWJPADORZWWMQDL-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.19
Rot. Bonds5

About 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide

2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide (PubChem CID 51091899) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide
PubChem CID51091899
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CC1c1ccccc1
InChIInChI=1S/C20H20N4O/c1-14(17-12-18(17)15-5-3-2-4-6-15)23-20(25)16-7-8-22-19(11-16)24-10-9-21-13-24/h2-11,13-14,17-18H,12H2,1H3,(H,23,25)
InChIKeyWJPADORZWWMQDL-UHFFFAOYSA-N
XLogP3.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide (CID 51091899) is 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CC1c1ccccc1.
What is the InChIKey of 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide?
The InChIKey is WJPADORZWWMQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14(17-12-18(17)15-5-3-2-4-6-15)23-20(25)16-7-8-22-19(11-16)24-10-9-21-13-24/h2-11,13-14,17-18H,12H2,1H3,(H,23,25).
What are the key properties of 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide?
2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 51091899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).