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

C21H20N4O2 — CID 109315553

IUPACN-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C21H20N4O2/c1-3-15-7-4-5-10-18(15)24-21-22-12-11-19(25-21)20(27)23-17-9-6-8-16(13-17)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeySWAGSNLNLAIPSK-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.24
Rot. Bonds6

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

N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315553) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315553
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C21H20N4O2/c1-3-15-7-4-5-10-18(15)24-21-22-12-11-19(25-21)20(27)23-17-9-6-8-16(13-17)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeySWAGSNLNLAIPSK-UHFFFAOYSA-N
XLogP4.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide (CID 109315553) is N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)Nc2cccc(C(C)=O)c2)n1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is SWAGSNLNLAIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-15-7-4-5-10-18(15)24-21-22-12-11-19(25-21)20(27)23-17-9-6-8-16(13-17)14(2)26/h4-13H,3H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).