N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C22H25N3O2 — CID 74237766

IUPACN-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(CC2(NC(=O)C3CC(=O)N(Cc4ccncc4)C3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-16-3-2-4-18(11-16)13-22(7-8-22)24-21(27)19-12-20(26)25(15-19)14-17-5-9-23-10-6-17/h2-6,9-11,19H,7-8,12-15H2,1H3,(H,24,27)
InChIKeyNPQCIOXNWBZIOA-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.63
Rot. Bonds6

About N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 74237766) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID74237766
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(CC2(NC(=O)C3CC(=O)N(Cc4ccncc4)C3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-16-3-2-4-18(11-16)13-22(7-8-22)24-21(27)19-12-20(26)25(15-19)14-17-5-9-23-10-6-17/h2-6,9-11,19H,7-8,12-15H2,1H3,(H,24,27)
InChIKeyNPQCIOXNWBZIOA-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183358
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
(3S)-N-[1-(3,5-difluorophenyl)cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97270111
1-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700078
1-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700427
5-oxo-1-(pyridin-4-ylmethyl)-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 72854717
N-[2-(3-chlorophenyl)ethyl]-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183307
N-[(3-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738809
1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide
CID 72857651
1-[(3-methylphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113183329
methyl 1-[2-(3-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693910
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132860

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 74237766) is N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is Cc1cccc(CC2(NC(=O)C3CC(=O)N(Cc4ccncc4)C3)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NPQCIOXNWBZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-3-2-4-18(11-16)13-22(7-8-22)24-21(27)19-12-20(26)25(15-19)14-17-5-9-23-10-6-17/h2-6,9-11,19H,7-8,12-15H2,1H3,(H,24,27).
What are the key properties of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 74237766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).