N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide

C21H21N5O2 — CID 109315823

IUPACN-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nccc(C(=O)Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C21H21N5O2/c1-3-26(18-10-5-4-6-11-18)21-22-13-12-19(25-21)20(28)24-17-9-7-8-16(14-17)23-15(2)27/h4-14H,3H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyFRTLFXAFDAWQOF-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.85
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide

N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315823) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315823
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nccc(C(=O)Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C21H21N5O2/c1-3-26(18-10-5-4-6-11-18)21-22-13-12-19(25-21)20(28)24-17-9-7-8-16(14-17)23-15(2)27/h4-14H,3H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyFRTLFXAFDAWQOF-UHFFFAOYSA-N
XLogP3.85
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109315105
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295026
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315780
N-(3-acetamidophenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243646
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109315823) is N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1nccc(C(=O)Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is FRTLFXAFDAWQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-26(18-10-5-4-6-11-18)21-22-13-12-19(25-21)20(28)24-17-9-7-8-16(14-17)23-15(2)27/h4-14H,3H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).