N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide

C21H20N2O — CID 95228803

IUPACN-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
SMILESCc1ccccc1[C@@H](NC(=O)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-16-7-5-6-10-19(16)21(18-8-3-2-4-9-18)23-20(24)15-17-11-13-22-14-12-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeySWBQEYBYXIAUGR-NRFANRHFSA-N
MW316.40 g/mol
LogP3.84
Rot. Bonds5

About N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide

N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide (PubChem CID 95228803) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
PubChem CID95228803
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
SMILESCc1ccccc1[C@@H](NC(=O)Cc1ccncc1)c1ccccc1
InChIInChI=1S/C21H20N2O/c1-16-7-5-6-10-19(16)21(18-8-3-2-4-9-18)23-20(24)15-17-11-13-22-14-12-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeySWBQEYBYXIAUGR-NRFANRHFSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885736
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 94018618
2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487345
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
CID 99947108
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
2-(4-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 38020716

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide (CID 95228803) is N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide is Cc1ccccc1[C@@H](NC(=O)Cc1ccncc1)c1ccccc1.
What is the InChIKey of N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide?
The InChIKey is SWBQEYBYXIAUGR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N2O/c1-16-7-5-6-10-19(16)21(18-8-3-2-4-9-18)23-20(24)15-17-11-13-22-14-12-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide?
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide has a molecular weight of 316.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 95228803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).