6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

C20H17N5O2 — CID 109359086

IUPAC6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ncn2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-17-9-7-16(8-10-17)25-20(26)18-11-19(23-13-22-18)24-15-5-3-14(12-21)4-6-15/h3-11,13H,2H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyAUHZTUKUPXXQRI-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.74
Rot. Bonds6

About 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109359086) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109359086
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ncn2)cc1
InChIInChI=1S/C20H17N5O2/c1-2-27-17-9-7-16(8-10-17)25-20(26)18-11-19(23-13-22-18)24-15-5-3-14(12-21)4-6-15/h3-11,13H,2H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyAUHZTUKUPXXQRI-UHFFFAOYSA-N
XLogP3.74
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide
CID 109338626
N-(2,6-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109357133
ethyl 2-[[6-(4-cyanoanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109359913
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109359086) is 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ncn2)cc1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is AUHZTUKUPXXQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-17-9-7-16(8-10-17)25-20(26)18-11-19(23-13-22-18)24-15-5-3-14(12-21)4-6-15/h3-11,13H,2H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).