6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide

C20H16N6O2 — CID 109359458

IUPAC6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ncn2)cc1
InChIInChI=1S/C20H16N6O2/c1-13(27)24-15-5-7-16(8-6-15)25-19-10-18(22-12-23-19)20(28)26-17-4-2-3-14(9-17)11-21/h2-10,12H,1H3,(H,24,27)(H,26,28)(H,22,23,25)
InChIKeyGBIQFTLNCILSJD-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.30
Rot. Bonds5

About 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide

6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide (PubChem CID 109359458) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
PubChem CID109359458
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ncn2)cc1
InChIInChI=1S/C20H16N6O2/c1-13(27)24-15-5-7-16(8-6-15)25-19-10-18(22-12-23-19)20(28)26-17-4-2-3-14(9-17)11-21/h2-10,12H,1H3,(H,24,27)(H,26,28)(H,22,23,25)
InChIKeyGBIQFTLNCILSJD-UHFFFAOYSA-N
XLogP3.30
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357156
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
methyl 3-[[6-[(4-cyanophenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109359511
6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356910

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide (CID 109359458) is 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2cc(C(=O)Nc3cccc(C#N)c3)ncn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The InChIKey is GBIQFTLNCILSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-13(27)24-15-5-7-16(8-6-15)25-19-10-18(22-12-23-19)20(28)26-17-4-2-3-14(9-17)11-21/h2-10,12H,1H3,(H,24,27)(H,26,28)(H,22,23,25).
What are the key properties of 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).