3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C18H21N3O — CID 166233761

IUPAC3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC1(c2ccccc2)CCN(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C18H21N3O/c1-18(16-7-3-2-4-8-16)9-11-21(14-18)17(22)20-13-15-6-5-10-19-12-15/h2-8,10,12H,9,11,13-14H2,1H3,(H,20,22)
InChIKeyAKVNCAGXTFMIFR-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.95
Rot. Bonds3

About 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 166233761) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID166233761
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC1(c2ccccc2)CCN(C(=O)NCc2cccnc2)C1
InChIInChI=1S/C18H21N3O/c1-18(16-7-3-2-4-8-16)9-11-21(14-18)17(22)20-13-15-6-5-10-19-12-15/h2-8,10,12H,9,11,13-14H2,1H3,(H,20,22)
InChIKeyAKVNCAGXTFMIFR-UHFFFAOYSA-N
XLogP2.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
3-methyl-1-[(3-pyridin-3-ylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010194
(2R,3S)-N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 97396668
1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 136539354
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
4-benzylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 27516632
N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155860227
3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 75463933
(5S)-9-N-benzyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490871
(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125242336

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 166233761) is 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is CC1(c2ccccc2)CCN(C(=O)NCc2cccnc2)C1.
What is the InChIKey of 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is AKVNCAGXTFMIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(16-7-3-2-4-8-16)9-11-21(14-18)17(22)20-13-15-6-5-10-19-12-15/h2-8,10,12H,9,11,13-14H2,1H3,(H,20,22).
What are the key properties of 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166233761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).