N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide

C21H23N3O3 — CID 1271347

IUPACN-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
SMILESCOc1ccccc1-c1cc(CC(C)C)nc(N(C(C)=O)C(C)=O)c1C#N
InChIInChI=1S/C21H23N3O3/c1-13(2)10-16-11-18(17-8-6-7-9-20(17)27-5)19(12-22)21(23-16)24(14(3)25)15(4)26/h6-9,11,13H,10H2,1-5H3
InChIKeyZBACUAIFYHLCCR-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.73
Rot. Bonds5

About N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide

N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide (PubChem CID 1271347) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
PubChem CID1271347
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide
SMILESCOc1ccccc1-c1cc(CC(C)C)nc(N(C(C)=O)C(C)=O)c1C#N
InChIInChI=1S/C21H23N3O3/c1-13(2)10-16-11-18(17-8-6-7-9-20(17)27-5)19(12-22)21(23-16)24(14(3)25)15(4)26/h6-9,11,13H,10H2,1-5H3
InChIKeyZBACUAIFYHLCCR-UHFFFAOYSA-N
XLogP3.73
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide
CID 170856608
4-(2-methoxyphenyl)-2-(2-oxo-3-phenylpropyl)sulfanyl-6-phenylpyridine-3-carbonitrile
CID 158600689
2-amino-4-(2,3-dichlorophenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 3418568
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-(cyanomethyl)-5-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353624
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
CID 5153682
3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270216
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82133202
4,5-difluoro-2-(2-methoxyphenyl)benzonitrile
CID 172648926

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The IUPAC name of N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide (CID 1271347) is N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide is COc1ccccc1-c1cc(CC(C)C)nc(N(C(C)=O)C(C)=O)c1C#N.
What is the InChIKey of N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
The InChIKey is ZBACUAIFYHLCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(2)10-16-11-18(17-8-6-7-9-20(17)27-5)19(12-22)21(23-16)24(14(3)25)15(4)26/h6-9,11,13H,10H2,1-5H3.
What are the key properties of N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide?
N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-cyano-4-(2-methoxyphenyl)-6-(2-methylpropyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 1271347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).