2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide

C17H21N3O — CID 104749408

IUPAC2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
SMILESCc1ccc(CNc2cccc(NC(=O)C(C)C)c2)cn1
InChIInChI=1S/C17H21N3O/c1-12(2)17(21)20-16-6-4-5-15(9-16)19-11-14-8-7-13(3)18-10-14/h4-10,12,19H,11H2,1-3H3,(H,20,21)
InChIKeyGTGFYXIBFIZEQW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.60
Rot. Bonds5

About 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide

2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide (PubChem CID 104749408) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
PubChem CID104749408
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
SMILESCc1ccc(CNc2cccc(NC(=O)C(C)C)c2)cn1
InChIInChI=1S/C17H21N3O/c1-12(2)17(21)20-16-6-4-5-15(9-16)19-11-14-8-7-13(3)18-10-14/h4-10,12,19H,11H2,1-3H3,(H,20,21)
InChIKeyGTGFYXIBFIZEQW-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566
N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756583
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 19644382
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749373
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide
CID 126803969
(2S)-N-[3-[(4-fluoro-3-methylphenyl)methylamino]phenyl]-2-methoxypropanamide
CID 129379570
N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline
CID 104749489
N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide
CID 95315395
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide (CID 104749408) is 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide is Cc1ccc(CNc2cccc(NC(=O)C(C)C)c2)cn1.
What is the InChIKey of 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide?
The InChIKey is GTGFYXIBFIZEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)17(21)20-16-6-4-5-15(9-16)19-11-14-8-7-13(3)18-10-14/h4-10,12,19H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide?
2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide has a molecular weight of 283.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide is sourced from PubChem (CID 104749408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).