N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide

C21H18N4O2 — CID 7719451

IUPACN-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2ccc(C#N)c(Nc3cccc(NC(C)=O)c3)n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14(26)23-17-4-3-5-18(12-17)24-21-16(13-22)8-11-20(25-21)15-6-9-19(27-2)10-7-15/h3-12H,1-2H3,(H,23,26)(H,24,25)
InChIKeyYAIVRJUWDRRKQA-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.33
Rot. Bonds5

About N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide

N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide (PubChem CID 7719451) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide
PubChem CID7719451
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2ccc(C#N)c(Nc3cccc(NC(C)=O)c3)n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14(26)23-17-4-3-5-18(12-17)24-21-16(13-22)8-11-20(25-21)15-6-9-19(27-2)10-7-15/h3-12H,1-2H3,(H,23,26)(H,24,25)
InChIKeyYAIVRJUWDRRKQA-UHFFFAOYSA-N
XLogP4.33
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid
CID 21004485
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
6-(3-methoxyphenyl)-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 82123088
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 23743382
2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749478
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178041
N-[4-(acetylsulfamoyl)phenyl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]propanamide
CID 25038433
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide (CID 7719451) is N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide is COc1ccc(-c2ccc(C#N)c(Nc3cccc(NC(C)=O)c3)n2)cc1.
What is the InChIKey of N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide?
The InChIKey is YAIVRJUWDRRKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(26)23-17-4-3-5-18(12-17)24-21-16(13-22)8-11-20(25-21)15-6-9-19(27-2)10-7-15/h3-12H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide?
N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 7719451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).