2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide

C26H32N4O4 — CID 70208773

IUPAC2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)CN(Cc1ccccc1)n1ccc(=O)cc1
InChIInChI=1S/C26H32N4O4/c31-22-13-16-28(17-14-22)29(18-20-8-3-1-4-9-20)19-24(32)30-15-7-12-23(30)25(33)26(34)27-21-10-5-2-6-11-21/h1,3-4,8-9,13-14,16-17,21,23H,2,5-7,10-12,15,18-19H2,(H,27,34)
InChIKeyQQDQHICYMHCCOM-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.00
Rot. Bonds8

About 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide

2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide (PubChem CID 70208773) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide
PubChem CID70208773
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)CN(Cc1ccccc1)n1ccc(=O)cc1
InChIInChI=1S/C26H32N4O4/c31-22-13-16-28(17-14-22)29(18-20-8-3-1-4-9-20)19-24(32)30-15-7-12-23(30)25(33)26(34)27-21-10-5-2-6-11-21/h1,3-4,8-9,13-14,16-17,21,23H,2,5-7,10-12,15,18-19H2,(H,27,34)
InChIKeyQQDQHICYMHCCOM-UHFFFAOYSA-N
XLogP2.00
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide with MolForge

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Related Compounds

2-(1-benzoylpyrrolidin-2-yl)-N-cyclohexyl-2-oxoacetamide
CID 67878467
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
1-[2-[benzyl-[benzyl-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 22717230
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47881551
N-[(2S)-1-[2-[2-(cyclohexylamino)-2-oxoacetyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-(morpholin-4-ylmethyl)benzamide;hydrochloride
CID 70209161
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide?
The IUPAC name of 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide (CID 70208773) is 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide is O=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)CN(Cc1ccccc1)n1ccc(=O)cc1.
What is the InChIKey of 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide?
The InChIKey is QQDQHICYMHCCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c31-22-13-16-28(17-14-22)29(18-20-8-3-1-4-9-20)19-24(32)30-15-7-12-23(30)25(33)26(34)27-21-10-5-2-6-11-21/h1,3-4,8-9,13-14,16-17,21,23H,2,5-7,10-12,15,18-19H2,(H,27,34).
What are the key properties of 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide?
2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide has a molecular weight of 464.57 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[benzyl-(4-oxo-1-pyridinyl)amino]acetyl]pyrrolidin-2-yl]-N-cyclohexyl-2-oxoacetamide is sourced from PubChem (CID 70208773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).