N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

C20H17N5O — CID 109357453

IUPACN-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C20H17N5O/c1-2-25(17-6-4-3-5-7-17)19-12-18(22-14-23-19)20(26)24-16-10-8-15(13-21)9-11-16/h3-12,14H,2H2,1H3,(H,24,26)
InChIKeyAJXRTOLWAPFTJJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.76
Rot. Bonds5

About N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357453) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109357453
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C20H17N5O/c1-2-25(17-6-4-3-5-7-17)19-12-18(22-14-23-19)20(26)24-16-10-8-15(13-21)9-11-16/h3-12,14H,2H2,1H3,(H,24,26)
InChIKeyAJXRTOLWAPFTJJ-UHFFFAOYSA-N
XLogP3.76
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357445
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357414
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354322
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356370
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109357453) is N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)Nc2ccc(C#N)cc2)ncn1.
What is the InChIKey of N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is AJXRTOLWAPFTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-25(17-6-4-3-5-7-17)19-12-18(22-14-23-19)20(26)24-16-10-8-15(13-21)9-11-16/h3-12,14H,2H2,1H3,(H,24,26).
What are the key properties of N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).