N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide

C16H21N3O2 — CID 61378639

IUPACN-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
SMILESCNc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C16H21N3O2/c1-17-13-6-3-2-5-12(13)16(21)19-10-4-7-14(19)15(20)18-11-8-9-11/h2-3,5-6,11,14,17H,4,7-10H2,1H3,(H,18,20)
InChIKeyMFZVJHXPKDUGSB-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.61
Rot. Bonds4

About N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 61378639) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
PubChem CID61378639
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
SMILESCNc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C16H21N3O2/c1-17-13-6-3-2-5-12(13)16(21)19-10-4-7-14(19)15(20)18-11-8-9-11/h2-3,5-6,11,14,17H,4,7-10H2,1H3,(H,18,20)
InChIKeyMFZVJHXPKDUGSB-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
[2-(methylamino)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
CID 61376485
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 80973644
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729944
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide (CID 61378639) is N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide is CNc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is MFZVJHXPKDUGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-13-6-3-2-5-12(13)16(21)19-10-4-7-14(19)15(20)18-11-8-9-11/h2-3,5-6,11,14,17H,4,7-10H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61378639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).