2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide

C17H21N3O — CID 113009090

IUPAC2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
SMILESCCCNc1ccc(NC(=O)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C17H21N3O/c1-3-10-18-16-9-8-15(12-19-16)20-17(21)11-14-6-4-13(2)5-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDLHAWZMGGBLVSD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide

2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide (PubChem CID 113009090) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
PubChem CID113009090
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
SMILESCCCNc1ccc(NC(=O)Cc2ccc(C)cc2)cn1
InChIInChI=1S/C17H21N3O/c1-3-10-18-16-9-8-15(12-19-16)20-17(21)11-14-6-4-13(2)5-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDLHAWZMGGBLVSD-UHFFFAOYSA-N
XLogP3.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009635
2-(4-fluorophenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023449
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113013483
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
CID 113011745
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113022901
N-[6-(diethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113014581
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018239

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide (CID 113009090) is 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide is CCCNc1ccc(NC(=O)Cc2ccc(C)cc2)cn1.
What is the InChIKey of 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide?
The InChIKey is DLHAWZMGGBLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-10-18-16-9-8-15(12-19-16)20-17(21)11-14-6-4-13(2)5-7-14/h4-9,12H,3,10-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide?
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113009090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).