3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide

C12H17N3O — CID 79240444

IUPAC3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCNC2)ccn1
InChIInChI=1S/C12H17N3O/c1-9-7-10(3-5-14-9)15-11(16)12(2)4-6-13-8-12/h3,5,7,13H,4,6,8H2,1-2H3,(H,14,15,16)
InChIKeyNGUQJWZFIAMQGA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.33
Rot. Bonds2

About 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide

3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 79240444) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID79240444
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCNC2)ccn1
InChIInChI=1S/C12H17N3O/c1-9-7-10(3-5-14-9)15-11(16)12(2)4-6-13-8-12/h3,5,7,13H,4,6,8H2,1-2H3,(H,14,15,16)
InChIKeyNGUQJWZFIAMQGA-UHFFFAOYSA-N
XLogP1.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
1-(aminomethyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 80599055
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-3-carboxamide
CID 63141092
2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63141374
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
1-[(2-methyl-4-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79240228

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide (CID 79240444) is 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2(C)CCNC2)ccn1.
What is the InChIKey of 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is NGUQJWZFIAMQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-10(3-5-14-9)15-11(16)12(2)4-6-13-8-12/h3,5,7,13H,4,6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide?
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79240444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).