[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone

C12H17N3O — CID 106753716

IUPAC[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCNC1CCN(C(=O)c2ccnc(C)c2)C1
InChIInChI=1S/C12H17N3O/c1-9-7-10(3-5-14-9)12(16)15-6-4-11(8-15)13-2/h3,5,7,11,13H,4,6,8H2,1-2H3
InChIKeyVVIHPQXRGUFIEQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.82
Rot. Bonds2

About [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone

[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone (PubChem CID 106753716) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
PubChem CID106753716
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCNC1CCN(C(=O)c2ccnc(C)c2)C1
InChIInChI=1S/C12H17N3O/c1-9-7-10(3-5-14-9)12(16)15-6-4-11(8-15)13-2/h3,5,7,11,13H,4,6,8H2,1-2H3
InChIKeyVVIHPQXRGUFIEQ-UHFFFAOYSA-N
XLogP0.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone (CID 106753716) is [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone is CNC1CCN(C(=O)c2ccnc(C)c2)C1.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The InChIKey is VVIHPQXRGUFIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-10(3-5-14-9)12(16)15-6-4-11(8-15)13-2/h3,5,7,11,13H,4,6,8H2,1-2H3.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone has a molecular weight of 219.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106753716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).