N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide

C16H16N4O3 — CID 66920746

IUPACN-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide
SMILESCOc1ccc(-c2nc(NC(C)=O)cc(N)c2C#N)c(OC)c1
InChIInChI=1S/C16H16N4O3/c1-9(21)19-15-7-13(18)12(8-17)16(20-15)11-5-4-10(22-2)6-14(11)23-3/h4-7H,1-3H3,(H3,18,19,20,21)
InChIKeyJKNYFXCZMKMZAL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.18
Rot. Bonds4

About N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide

N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide (PubChem CID 66920746) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide
PubChem CID66920746
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide
SMILESCOc1ccc(-c2nc(NC(C)=O)cc(N)c2C#N)c(OC)c1
InChIInChI=1S/C16H16N4O3/c1-9(21)19-15-7-13(18)12(8-17)16(20-15)11-5-4-10(22-2)6-14(11)23-3/h4-7H,1-3H3,(H3,18,19,20,21)
InChIKeyJKNYFXCZMKMZAL-UHFFFAOYSA-N
XLogP2.18
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 11588450
N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide
CID 66920766
N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 11610382
2,4-diamino-6-(2-hydroxy-4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169395991
N-[4-(4-amino-5-cyano-6-methoxy-2-pyridinyl)phenyl]acetamide
CID 70924991
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
2-(2,4-dimethoxyphenyl)-3-methoxypyridin-4-amine
CID 77093303
2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 166594866
2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
CID 54853938
2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide
CID 172645812

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide (CID 66920746) is N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide is COc1ccc(-c2nc(NC(C)=O)cc(N)c2C#N)c(OC)c1.
What is the InChIKey of N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide?
The InChIKey is JKNYFXCZMKMZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9(21)19-15-7-13(18)12(8-17)16(20-15)11-5-4-10(22-2)6-14(11)23-3/h4-7H,1-3H3,(H3,18,19,20,21).
What are the key properties of N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide?
N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-cyano-6-(2,4-dimethoxyphenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 66920746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).