2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide

C21H21N5O2 — CID 109315621

IUPAC2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C21H21N5O2/c1-3-15-7-4-5-10-18(15)25-20(28)19-11-12-22-21(26-19)24-17-9-6-8-16(13-17)23-14(2)27/h4-13H,3H2,1-2H3,(H,23,27)(H,25,28)(H,22,24,26)
InChIKeyYJDZRHCYOXQONR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.99
Rot. Bonds6

About 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide

2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315621) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315621
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C21H21N5O2/c1-3-15-7-4-5-10-18(15)25-20(28)19-11-12-22-21(26-19)24-17-9-6-8-16(13-17)23-14(2)27/h4-13H,3H2,1-2H3,(H,23,27)(H,25,28)(H,22,24,26)
InChIKeyYJDZRHCYOXQONR-UHFFFAOYSA-N
XLogP3.99
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533
N-(2-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315653
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide (CID 109315621) is 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1ccnc(Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is YJDZRHCYOXQONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-15-7-4-5-10-18(15)25-20(28)19-11-12-22-21(26-19)24-17-9-6-8-16(13-17)23-14(2)27/h4-13H,3H2,1-2H3,(H,23,27)(H,25,28)(H,22,24,26).
What are the key properties of 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).