N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide

C23H22N4O3 — CID 11524194

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)cc(N)c1C#N
InChIInChI=1S/C23H22N4O3/c1-2-29-23-19(14-24)20(25)13-21(27-23)26-22(28)12-16-8-10-18(11-9-16)30-15-17-6-4-3-5-7-17/h3-11,13H,2,12,15H2,1H3,(H3,25,26,27,28)
InChIKeyXDORJONGPPZDAY-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.69
Rot. Bonds8

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 11524194) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID11524194
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)cc(N)c1C#N
InChIInChI=1S/C23H22N4O3/c1-2-29-23-19(14-24)20(25)13-21(27-23)26-22(28)12-16-8-10-18(11-9-16)30-15-17-6-4-3-5-7-17/h3-11,13H,2,12,15H2,1H3,(H3,25,26,27,28)
InChIKeyXDORJONGPPZDAY-UHFFFAOYSA-N
XLogP3.69
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 11544489
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 11588450
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 11652380
4-amino-6-benzyl-2-ethoxypyridine-3-carbonitrile
CID 70924925
4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide
CID 143926815
4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-2-ethoxypyridine-3-carbonitrile
CID 143926886
N-(2-aminophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866981
4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
4-[(4-amino-5-cyano-6-ethoxy-2-pyridinyl)amino]-N,N-dimethylbenzamide
CID 143926752
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide (CID 11524194) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide is CCOc1nc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is XDORJONGPPZDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-2-29-23-19(14-24)20(25)13-21(27-23)26-22(28)12-16-8-10-18(11-9-16)30-15-17-6-4-3-5-7-17/h3-11,13H,2,12,15H2,1H3,(H3,25,26,27,28).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.69, 8 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-ethoxy-2-pyridinyl)-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 11524194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).