N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide

C22H22N4O2 — CID 109318199

IUPACN-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C22H22N4O2/c1-4-26(19-10-5-7-15(2)13-19)22-23-12-11-20(25-22)21(28)24-18-9-6-8-17(14-18)16(3)27/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyOGKIILZTEFGUID-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.40
Rot. Bonds6

About N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109318199) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109318199
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C22H22N4O2/c1-4-26(19-10-5-7-15(2)13-19)22-23-12-11-20(25-22)21(28)24-18-9-6-8-17(14-18)16(3)27/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyOGKIILZTEFGUID-UHFFFAOYSA-N
XLogP4.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109315105
2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315780
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989
N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109200389
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide (CID 109318199) is N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1nccc(C(=O)Nc2cccc(C(C)=O)c2)n1.
What is the InChIKey of N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is OGKIILZTEFGUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-26(19-10-5-7-15(2)13-19)22-23-12-11-20(25-22)21(28)24-18-9-6-8-17(14-18)16(3)27/h5-14H,4H2,1-3H3,(H,24,28).
What are the key properties of N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).