4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one

C17H20N2O — CID 62050830

IUPAC4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)Cc1ccccn1
InChIInChI=1S/C17H20N2O/c1-19(14-16-10-5-6-12-18-16)13-7-11-17(20)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13-14H2,1H3
InChIKeySCDKPCPTNYFRPU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.18
Rot. Bonds7

About 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one

4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one (PubChem CID 62050830) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
PubChem CID62050830
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one
SMILESCN(CCCC(=O)c1ccccc1)Cc1ccccn1
InChIInChI=1S/C17H20N2O/c1-19(14-16-10-5-6-12-18-16)13-7-11-17(20)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13-14H2,1H3
InChIKeySCDKPCPTNYFRPU-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-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

1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 62611657
6-[methyl(pyridin-2-ylmethyl)amino]hexan-3-one
CID 106801322
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 43565021
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
CID 94230138
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one?
The IUPAC name of 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one (CID 62050830) is 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one?
The canonical SMILES for 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one is CN(CCCC(=O)c1ccccc1)Cc1ccccn1.
What is the InChIKey of 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one?
The InChIKey is SCDKPCPTNYFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(14-16-10-5-6-12-18-16)13-7-11-17(20)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13-14H2,1H3.
What are the key properties of 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one?
4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-ylmethyl)amino]-1-phenylbutan-1-one is sourced from PubChem (CID 62050830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).