2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide

C16H18N2O — CID 18163057

IUPAC2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCc1ccc(CC(=O)NC(C)c2cccnc2)cc1
InChIInChI=1S/C16H18N2O/c1-12-5-7-14(8-6-12)10-16(19)18-13(2)15-4-3-9-17-11-15/h3-9,11,13H,10H2,1-2H3,(H,18,19)
InChIKeyYFXHNVSXNPPUQU-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.81
Rot. Bonds4

About 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide

2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 18163057) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID18163057
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCc1ccc(CC(=O)NC(C)c2cccnc2)cc1
InChIInChI=1S/C16H18N2O/c1-12-5-7-14(8-6-12)10-16(19)18-13(2)15-4-3-9-17-11-15/h3-9,11,13H,10H2,1-2H3,(H,18,19)
InChIKeyYFXHNVSXNPPUQU-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110647997
3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 30537602
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide (CID 18163057) is 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide is Cc1ccc(CC(=O)NC(C)c2cccnc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is YFXHNVSXNPPUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-5-7-14(8-6-12)10-16(19)18-13(2)15-4-3-9-17-11-15/h3-9,11,13H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide?
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 18163057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).