N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide

C12H17N3O — CID 63005233

IUPACN-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCNC2)cn1
InChIInChI=1S/C12H17N3O/c1-9-2-3-10(6-14-9)7-15-12(16)11-4-5-13-8-11/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyTWSDBJMXIJZKTK-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.62
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide

N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 63005233) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID63005233
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCNC2)cn1
InChIInChI=1S/C12H17N3O/c1-9-2-3-10(6-14-9)7-15-12(16)11-4-5-13-8-11/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyTWSDBJMXIJZKTK-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[[6-(diethylamino)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119846329

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 63005233) is N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCNC2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is TWSDBJMXIJZKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-2-3-10(6-14-9)7-15-12(16)11-4-5-13-8-11/h2-3,6,11,13H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).