N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

C21H23ClN4O3 — CID 3654282

IUPACN-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2)C1)C(=O)c1cccnc1
InChIInChI=1S/C21H23ClN4O3/c1-2-3-10-24(21(29)16-6-5-9-23-12-16)13-19(27)25-14-20(28)26(15-25)18-8-4-7-17(22)11-18/h4-9,11-12H,2-3,10,13-15H2,1H3
InChIKeyPFVGETVHSUUHIN-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.81
Rot. Bonds7

About N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 3654282) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID3654282
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2)C1)C(=O)c1cccnc1
InChIInChI=1S/C21H23ClN4O3/c1-2-3-10-24(21(29)16-6-5-9-23-12-16)13-19(27)25-14-20(28)26(15-25)18-8-4-7-17(22)11-18/h4-9,11-12H,2-3,10,13-15H2,1H3
InChIKeyPFVGETVHSUUHIN-UHFFFAOYSA-N
XLogP2.81
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4317229
2-chloro-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3324074
N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4258893
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-(2-methoxyethyl)hexanamide
CID 4183545
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-2-methylbenzamide
CID 4033493
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 3496333
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42770524
3-chloro-N-[2-[3-[(4-chlorophenyl)methyl]-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 59434037
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
CID 42770707
3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325454
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-ethyl-2,2-dimethylpropanamide
CID 4115941

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (CID 3654282) is N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is CCCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2)C1)C(=O)c1cccnc1.
What is the InChIKey of N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is PFVGETVHSUUHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-2-3-10-24(21(29)16-6-5-9-23-12-16)13-19(27)25-14-20(28)26(15-25)18-8-4-7-17(22)11-18/h4-9,11-12H,2-3,10,13-15H2,1H3.
What are the key properties of N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3654282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).