1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one

C13H19N3O — CID 57134127

IUPAC1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one
SMILESCN(CC(=O)C[C@H]1CCCN1)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-16(12-4-7-14-8-5-12)10-13(17)9-11-3-2-6-15-11/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3/t11-/m1/s1
InChIKeyDTPDAMBKYKTEKN-LLVKDONJSA-N
MW233.31 g/mol
LogP1.23
Rot. Bonds5

About 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one

1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one (PubChem CID 57134127) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one
PubChem CID57134127
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one
SMILESCN(CC(=O)C[C@H]1CCCN1)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-16(12-4-7-14-8-5-12)10-13(17)9-11-3-2-6-15-11/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3/t11-/m1/s1
InChIKeyDTPDAMBKYKTEKN-LLVKDONJSA-N
XLogP1.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one 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

N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide
CID 106936342
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
CID 123192463
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876328
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560826

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one (CID 57134127) is 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one is CN(CC(=O)C[C@H]1CCCN1)c1ccncc1.
What is the InChIKey of 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one?
The InChIKey is DTPDAMBKYKTEKN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(12-4-7-14-8-5-12)10-13(17)9-11-3-2-6-15-11/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one?
1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 57134127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).