N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide

C23H21ClN6O3 — CID 178023252

IUPACN-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCN(C(=O)NCc3ccc(Cl)cc3)C2=O)nc1)c1cccnc1
InChIInChI=1S/C23H21ClN6O3/c24-19-6-3-16(4-7-19)12-28-22(32)30-11-10-29(23(30)33)20-8-5-17(13-26-20)14-27-21(31)18-2-1-9-25-15-18/h1-9,13,15H,10-12,14H2,(H,27,31)(H,28,32)
InChIKeyHIBQAECJBQIEQP-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.21
Rot. Bonds6

About N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide

N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 178023252) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID178023252
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC NameN-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCN(C(=O)NCc3ccc(Cl)cc3)C2=O)nc1)c1cccnc1
InChIInChI=1S/C23H21ClN6O3/c24-19-6-3-16(4-7-19)12-28-22(32)30-11-10-29(23(30)33)20-8-5-17(13-26-20)14-27-21(31)18-2-1-9-25-15-18/h1-9,13,15H,10-12,14H2,(H,27,31)(H,28,32)
InChIKeyHIBQAECJBQIEQP-UHFFFAOYSA-N
XLogP3.21
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023317
N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023408
N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023261
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023288
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 178023252) is N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(N2CCN(C(=O)NCc3ccc(Cl)cc3)C2=O)nc1)c1cccnc1.
What is the InChIKey of N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is HIBQAECJBQIEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c24-19-6-3-16(4-7-19)12-28-22(32)30-11-10-29(23(30)33)20-8-5-17(13-26-20)14-27-21(31)18-2-1-9-25-15-18/h1-9,13,15H,10-12,14H2,(H,27,31)(H,28,32).
What are the key properties of N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 178023252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).