2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide

C20H15N5O2 — CID 109270091

IUPAC2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(Nc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)c1
InChIInChI=1S/C20H15N5O2/c1-13(26)15-3-2-4-18(9-15)25-20-22-11-16(12-23-20)19(27)24-17-7-5-14(10-21)6-8-17/h2-9,11-12H,1H3,(H,24,27)(H,22,23,25)
InChIKeyVPKDIYXXJSALLI-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide

2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide (PubChem CID 109270091) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
PubChem CID109270091
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(Nc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)c1
InChIInChI=1S/C20H15N5O2/c1-13(26)15-3-2-4-18(9-15)25-20-22-11-16(12-23-20)19(27)24-17-7-5-14(10-21)6-8-17/h2-9,11-12H,1H3,(H,24,27)(H,22,23,25)
InChIKeyVPKDIYXXJSALLI-UHFFFAOYSA-N
XLogP3.55
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269995
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide
CID 109270726
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide (CID 109270091) is 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide is CC(=O)c1cccc(Nc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide?
The InChIKey is VPKDIYXXJSALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-13(26)15-3-2-4-18(9-15)25-20-22-11-16(12-23-20)19(27)24-17-7-5-14(10-21)6-8-17/h2-9,11-12H,1H3,(H,24,27)(H,22,23,25).
What are the key properties of 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide?
2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).