N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide

C22H23N3O — CID 96550885

IUPACN-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(C[C@H](NC(=O)Cc2ccc(C)nc2)c2ccccn2)cc1
InChIInChI=1S/C22H23N3O/c1-16-6-9-18(10-7-16)13-21(20-5-3-4-12-23-20)25-22(26)14-19-11-8-17(2)24-15-19/h3-12,15,21H,13-14H2,1-2H3,(H,25,26)/t21-/m0/s1
InChIKeyTXHSLLVGBOTPOJ-NRFANRHFSA-N
MW345.45 g/mol
LogP3.74
Rot. Bonds6

About N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide

N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 96550885) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID96550885
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(C[C@H](NC(=O)Cc2ccc(C)nc2)c2ccccn2)cc1
InChIInChI=1S/C22H23N3O/c1-16-6-9-18(10-7-16)13-21(20-5-3-4-12-23-20)25-22(26)14-19-11-8-17(2)24-15-19/h3-12,15,21H,13-14H2,1-2H3,(H,25,26)/t21-/m0/s1
InChIKeyTXHSLLVGBOTPOJ-NRFANRHFSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
CID 86956430
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethanamine
CID 93312466

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide (CID 96550885) is N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(C[C@H](NC(=O)Cc2ccc(C)nc2)c2ccccn2)cc1.
What is the InChIKey of N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is TXHSLLVGBOTPOJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-6-9-18(10-7-16)13-21(20-5-3-4-12-23-20)25-22(26)14-19-11-8-17(2)24-15-19/h3-12,15,21H,13-14H2,1-2H3,(H,25,26)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 96550885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).