N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide

C17H21N3O — CID 109019088

IUPACN-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
SMILESCc1ccccc1CNC(=O)CCNCc1cccnc1
InChIInChI=1S/C17H21N3O/c1-14-5-2-3-7-16(14)13-20-17(21)8-10-19-12-15-6-4-9-18-11-15/h2-7,9,11,19H,8,10,12-13H2,1H3,(H,20,21)
InChIKeyKNCOLLIFEUURSC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.19
Rot. Bonds7

About N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide

N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide (PubChem CID 109019088) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
PubChem CID109019088
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
SMILESCc1ccccc1CNC(=O)CCNCc1cccnc1
InChIInChI=1S/C17H21N3O/c1-14-5-2-3-7-16(14)13-20-17(21)8-10-19-12-15-6-4-9-18-11-15/h2-7,9,11,19H,8,10,12-13H2,1H3,(H,20,21)
InChIKeyKNCOLLIFEUURSC-UHFFFAOYSA-N
XLogP2.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023680
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
1-(4-methylphenyl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 94270981
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide (CID 109019088) is N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide is Cc1ccccc1CNC(=O)CCNCc1cccnc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide?
The InChIKey is KNCOLLIFEUURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-5-2-3-7-16(14)13-20-17(21)8-10-19-12-15-6-4-9-18-11-15/h2-7,9,11,19H,8,10,12-13H2,1H3,(H,20,21).
What are the key properties of N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide?
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide is sourced from PubChem (CID 109019088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).