3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide

C20H21ClN4O — CID 10270424

IUPAC3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
SMILESCN(CCc1cnc[nH]1)C(=O)CC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C20H21ClN4O/c1-25(11-9-17-13-22-14-24-17)20(26)12-18(19-4-2-3-10-23-19)15-5-7-16(21)8-6-15/h2-8,10,13-14,18H,9,11-12H2,1H3,(H,22,24)
InChIKeyUMWQGCHBOCVGSL-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.68
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide

3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide (PubChem CID 10270424) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
PubChem CID10270424
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
SMILESCN(CCc1cnc[nH]1)C(=O)CC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C20H21ClN4O/c1-25(11-9-17-13-22-14-24-17)20(26)12-18(19-4-2-3-10-23-19)15-5-7-16(21)8-6-15/h2-8,10,13-14,18H,9,11-12H2,1H3,(H,22,24)
InChIKeyUMWQGCHBOCVGSL-UHFFFAOYSA-N
XLogP3.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide (CID 10270424) is 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide is CN(CCc1cnc[nH]1)C(=O)CC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide?
The InChIKey is UMWQGCHBOCVGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-25(11-9-17-13-22-14-24-17)20(26)12-18(19-4-2-3-10-23-19)15-5-7-16(21)8-6-15/h2-8,10,13-14,18H,9,11-12H2,1H3,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide?
3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide has a molecular weight of 368.87 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 10270424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).