2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide

C17H21N3O — CID 113011746

IUPAC2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
SMILESCc1ccc(CNc2ccc(NC(=O)C(C)C)cn2)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)17(21)20-15-8-9-16(19-11-15)18-10-14-6-4-13(3)5-7-14/h4-9,11-12H,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyWXTCYGBXUQKABS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.60
Rot. Bonds5

About 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide

2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide (PubChem CID 113011746) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
PubChem CID113011746
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
SMILESCc1ccc(CNc2ccc(NC(=O)C(C)C)cn2)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)17(21)20-15-8-9-16(19-11-15)18-10-14-6-4-13(3)5-7-14/h4-9,11-12H,10H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyWXTCYGBXUQKABS-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

4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
CID 113011745
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009635
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
5-hydrazinyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 82055033
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113012140
2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
CID 113009307
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
CID 113009090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide (CID 113011746) is 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide is Cc1ccc(CNc2ccc(NC(=O)C(C)C)cn2)cc1.
What is the InChIKey of 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide?
The InChIKey is WXTCYGBXUQKABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)17(21)20-15-8-9-16(19-11-15)18-10-14-6-4-13(3)5-7-14/h4-9,11-12H,10H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide?
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]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-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide is sourced from PubChem (CID 113011746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).