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

C12H17N3O — CID 80564489

IUPAC6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2CCNC2)n1
InChIInChI=1S/C12H17N3O/c1-9-3-2-4-11(15-9)12(16)14-8-10-5-6-13-7-10/h2-4,10,13H,5-8H2,1H3,(H,14,16)
InChIKeyCIJXBKFXYHEGGC-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.73
Rot. Bonds3

About 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide

6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 80564489) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID80564489
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC2CCNC2)n1
InChIInChI=1S/C12H17N3O/c1-9-3-2-4-11(15-9)12(16)14-8-10-5-6-13-7-10/h2-4,10,13H,5-8H2,1H3,(H,14,16)
InChIKeyCIJXBKFXYHEGGC-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

6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methylpyridine-2-carboxamide
CID 47157029
6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 91645277
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
CID 119460242
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80564288
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
CID 80564493

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide (CID 80564489) is 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide is Cc1cccc(C(=O)NCC2CCNC2)n1.
What is the InChIKey of 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is CIJXBKFXYHEGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-3-2-4-11(15-9)12(16)14-8-10-5-6-13-7-10/h2-4,10,13H,5-8H2,1H3,(H,14,16).
What are the key properties of 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide?
6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-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 6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 80564489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).