N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide

C21H23N3O2 — CID 134803506

IUPACN-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CC1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C21H23N3O2/c25-20(23-13-15-8-9-15)19-7-3-11-24(19)21(26)17-5-1-4-16(12-17)18-6-2-10-22-14-18/h1-2,4-6,10,12,14-15,19H,3,7-9,11,13H2,(H,23,25)
InChIKeyWLPFPYVGJJSMDP-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.88
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide

N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 134803506) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID134803506
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CC1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C21H23N3O2/c25-20(23-13-15-8-9-15)19-7-3-11-24(19)21(26)17-5-1-4-16(12-17)18-6-2-10-22-14-18/h1-2,4-6,10,12,14-15,19H,3,7-9,11,13H2,(H,23,25)
InChIKeyWLPFPYVGJJSMDP-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134801025
N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803976
morpholin-4-yl-[1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]methanone
CID 134801928
1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 134798830
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide
CID 59684199
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134797544
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide (CID 134803506) is N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide is O=C(NCC1CC1)C1CCCN1C(=O)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is WLPFPYVGJJSMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(23-13-15-8-9-15)19-7-3-11-24(19)21(26)17-5-1-4-16(12-17)18-6-2-10-22-14-18/h1-2,4-6,10,12,14-15,19H,3,7-9,11,13H2,(H,23,25).
What are the key properties of N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide?
N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134803506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).