2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide

C12H17N3O — CID 80564265

IUPAC2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCC1CCNC1
InChIInChI=1S/C12H17N3O/c1-9-11(3-2-5-14-9)12(16)15-8-10-4-6-13-7-10/h2-3,5,10,13H,4,6-8H2,1H3,(H,15,16)
InChIKeyAEVABWVJJRJWLL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.73
Rot. Bonds3

About 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide

2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 80564265) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID80564265
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCC1CCNC1
InChIInChI=1S/C12H17N3O/c1-9-11(3-2-5-14-9)12(16)15-8-10-4-6-13-7-10/h2-3,5,10,13H,4,6-8H2,1H3,(H,15,16)
InChIKeyAEVABWVJJRJWLL-UHFFFAOYSA-N
XLogP0.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 80564489
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
2-methyl-N-(morpholin-3-ylmethyl)pyridine-3-carboxamide
CID 103548430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide (CID 80564265) is 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide is Cc1ncccc1C(=O)NCC1CCNC1.
What is the InChIKey of 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AEVABWVJJRJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-11(3-2-5-14-9)12(16)15-8-10-4-6-13-7-10/h2-3,5,10,13H,4,6-8H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide?
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 80564265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).