N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide

C20H20N4O2 — CID 51085911

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccnc(-n3ccnc3)c2)C2CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-6-4-15(5-7-17)19(14-2-3-14)23-20(25)16-8-9-22-18(12-16)24-11-10-21-13-24/h4-14,19H,2-3H2,1H3,(H,23,25)
InChIKeyIFYKMUMQTQWYKE-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.16
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 51085911) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID51085911
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2ccnc(-n3ccnc3)c2)C2CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-6-4-15(5-7-17)19(14-2-3-14)23-20(25)16-8-9-22-18(12-16)24-11-10-21-13-24/h4-14,19H,2-3H2,1H3,(H,23,25)
InChIKeyIFYKMUMQTQWYKE-UHFFFAOYSA-N
XLogP3.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 51085911) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide is COc1ccc(C(NC(=O)c2ccnc(-n3ccnc3)c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is IFYKMUMQTQWYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-17-6-4-15(5-7-17)19(14-2-3-14)23-20(25)16-8-9-22-18(12-16)24-11-10-21-13-24/h4-14,19H,2-3H2,1H3,(H,23,25).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 51085911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).