2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide

C21H25N3O3 — CID 86855571

IUPAC2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCCCCn1ccccc1=O
InChIInChI=1S/C21H25N3O3/c1-23(21(27)16-11-12-16)18-9-3-2-8-17(18)20(26)22-13-5-7-15-24-14-6-4-10-19(24)25/h2-4,6,8-10,14,16H,5,7,11-13,15H2,1H3,(H,22,26)
InChIKeySNJCZYQDNBMLDH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds8

About 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide

2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide (PubChem CID 86855571) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide.

Molecular Properties

Compound Name2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
PubChem CID86855571
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NCCCCn1ccccc1=O
InChIInChI=1S/C21H25N3O3/c1-23(21(27)16-11-12-16)18-9-3-2-8-17(18)20(26)22-13-5-7-15-24-14-6-4-10-19(24)25/h2-4,6,8-10,14,16H,5,7,11-13,15H2,1H3,(H,22,26)
InChIKeySNJCZYQDNBMLDH-UHFFFAOYSA-N
XLogP2.43
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzamide
CID 86938845
1-(2-methylpropyl)-N-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-3-carboxamide
CID 71851504
1,2-dimethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 75526639
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 55966441
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
2-[cyclopropanecarbonyl(methyl)amino]-N-(2-phenylbutyl)benzamide
CID 46494345
N',4-dimethyl-N-[4-(2-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
CID 111210589
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
1-butan-2-yl-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 110943652
2-(2,5-dimethylpyrrol-1-yl)-N-[4-(2-oxo-1-pyridinyl)butyl]thiophene-3-carboxamide
CID 86855596
2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119252709

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide?
The IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide (CID 86855571) is 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide.
What is the SMILES notation for 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide?
The canonical SMILES for 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide is CN(C(=O)C1CC1)c1ccccc1C(=O)NCCCCn1ccccc1=O.
What is the InChIKey of 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide?
The InChIKey is SNJCZYQDNBMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23(21(27)16-11-12-16)18-9-3-2-8-17(18)20(26)22-13-5-7-15-24-14-6-4-10-19(24)25/h2-4,6,8-10,14,16H,5,7,11-13,15H2,1H3,(H,22,26).
What are the key properties of 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide?
2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide is sourced from PubChem (CID 86855571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).