N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide

C20H17N5O2 — CID 109358999

IUPACN-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1
InChIInChI=1S/C20H17N5O2/c1-2-27-18-9-4-3-8-16(18)25-19-11-17(22-13-23-19)20(26)24-15-7-5-6-14(10-15)12-21/h3-11,13H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyJCNZCXWRRJQGOZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.74
Rot. Bonds6

About N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109358999) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109358999
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1
InChIInChI=1S/C20H17N5O2/c1-2-27-18-9-4-3-8-16(18)25-19-11-17(22-13-23-19)20(26)24-15-7-5-6-14(10-15)12-21/h3-11,13H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyJCNZCXWRRJQGOZ-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

N-(3-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359156
methyl 3-[[6-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358989
6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109358994
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide (CID 109358999) is N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ncn1.
What is the InChIKey of N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is JCNZCXWRRJQGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-27-18-9-4-3-8-16(18)25-19-11-17(22-13-23-19)20(26)24-15-7-5-6-14(10-15)12-21/h3-11,13H,2H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-6-(2-ethoxyanilino)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 N-(3-cyanophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).