1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C13H19N3O — CID 91273952

IUPAC1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN1CCCC1(C)C(=O)NCc1ccncc1
InChIInChI=1S/C13H19N3O/c1-13(6-3-9-16(13)2)12(17)15-10-11-4-7-14-8-5-11/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,17)
InChIKeyWGJUVGRUALHJTL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds3

About 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 91273952) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID91273952
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN1CCCC1(C)C(=O)NCc1ccncc1
InChIInChI=1S/C13H19N3O/c1-13(6-3-9-16(13)2)12(17)15-10-11-4-7-14-8-5-11/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,17)
InChIKeyWGJUVGRUALHJTL-UHFFFAOYSA-N
XLogP1.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide
CID 46948570
(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide
CID 10881916
2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 47101185
3-methyl-1-(pyridin-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136006
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 124956749
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800845
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977040
ethyl 4-[1-(pyridin-4-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108976948
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea
CID 108909886

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 91273952) is 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is CN1CCCC1(C)C(=O)NCc1ccncc1.
What is the InChIKey of 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is WGJUVGRUALHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(6-3-9-16(13)2)12(17)15-10-11-4-7-14-8-5-11/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,17).
What are the key properties of 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91273952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).