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

C12H17N3O — CID 102779438

IUPAC3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1ccncc1NC(=O)C1NCCC1C
InChIInChI=1S/C12H17N3O/c1-8-3-5-13-7-10(8)15-12(16)11-9(2)4-6-14-11/h3,5,7,9,11,14H,4,6H2,1-2H3,(H,15,16)
InChIKeyJHINBRBFHFZYRB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.33
Rot. Bonds2

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

3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 102779438) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID102779438
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1ccncc1NC(=O)C1NCCC1C
InChIInChI=1S/C12H17N3O/c1-8-3-5-13-7-10(8)15-12(16)11-9(2)4-6-14-11/h3,5,7,9,11,14H,4,6H2,1-2H3,(H,15,16)
InChIKeyJHINBRBFHFZYRB-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

3-methyl-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 102779456
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327750
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777919
3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 154866117
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777906
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778094

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide (CID 102779438) is 3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide is Cc1ccncc1NC(=O)C1NCCC1C.
What is the InChIKey of 3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is JHINBRBFHFZYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-3-5-13-7-10(8)15-12(16)11-9(2)4-6-14-11/h3,5,7,9,11,14H,4,6H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide?
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-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-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).