2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide

C23H25N3O — CID 113029843

IUPAC2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C23H25N3O/c1-18-8-5-6-12-20(18)16-23(27)26-22-14-13-21(17-25-22)24-15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,17,24H,7,11,15-16H2,1H3,(H,25,26,27)
InChIKeyMDPMXZHYJLNGLE-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.62
Rot. Bonds8

About 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide

2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide (PubChem CID 113029843) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
PubChem CID113029843
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C23H25N3O/c1-18-8-5-6-12-20(18)16-23(27)26-22-14-13-21(17-25-22)24-15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,17,24H,7,11,15-16H2,1H3,(H,25,26,27)
InChIKeyMDPMXZHYJLNGLE-UHFFFAOYSA-N
XLogP4.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.62
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

3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate
CID 113029848
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113027443
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014815
N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide
CID 113029807
2-(2-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025661
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide (CID 113029843) is 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide is Cc1ccccc1CC(=O)Nc1ccc(NCCCc2ccccc2)cn1.
What is the InChIKey of 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide?
The InChIKey is MDPMXZHYJLNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18-8-5-6-12-20(18)16-23(27)26-22-14-13-21(17-25-22)24-15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,17,24H,7,11,15-16H2,1H3,(H,25,26,27).
What are the key properties of 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide?
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 113029843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).