3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C14H21N3O — CID 113411343

IUPAC3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc(CNCCC(=O)N2CCCC2)n1
InChIInChI=1S/C14H21N3O/c1-12-5-4-6-13(16-12)11-15-8-7-14(18)17-9-2-3-10-17/h4-6,15H,2-3,7-11H2,1H3
InChIKeyQQUPODGQPWWBGI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.49
Rot. Bonds5

About 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 113411343) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID113411343
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccc(CNCCC(=O)N2CCCC2)n1
InChIInChI=1S/C14H21N3O/c1-12-5-4-6-13(16-12)11-15-8-7-14(18)17-9-2-3-10-17/h4-6,15H,2-3,7-11H2,1H3
InChIKeyQQUPODGQPWWBGI-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79775943
3-[(2-hydroxy-3-methylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115904834
3-[(1-methyltriazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62755577
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113259255
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 115587369
3-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 103263214
2-(1,4-diazepan-1-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-oxoacetamide
CID 62307548
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 115684547

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 113411343) is 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is Cc1cccc(CNCCC(=O)N2CCCC2)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QQUPODGQPWWBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12-5-4-6-13(16-12)11-15-8-7-14(18)17-9-2-3-10-17/h4-6,15H,2-3,7-11H2,1H3.
What are the key properties of 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 113411343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).