2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide

C22H22N4O3 — CID 109337630

IUPAC2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(C)nc(Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C22H22N4O3/c1-4-29-20-11-6-5-10-18(20)25-21(28)19-12-14(2)23-22(26-19)24-17-9-7-8-16(13-17)15(3)27/h5-13H,4H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeySQTJZIWFWPODLP-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.38
Rot. Bonds7

About 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337630) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337630
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(C)nc(Nc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C22H22N4O3/c1-4-29-20-11-6-5-10-18(20)25-21(28)19-12-14(2)23-22(26-19)24-17-9-7-8-16(13-17)15(3)27/h5-13H,4H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeySQTJZIWFWPODLP-UHFFFAOYSA-N
XLogP4.38
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-acetylanilino)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109336526
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337616
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
N-(3-acetylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109199996
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
ethyl 2-[[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109334961

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109337630) is 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(C)nc(Nc2cccc(C(C)=O)c2)n1.
What is the InChIKey of 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is SQTJZIWFWPODLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-4-29-20-11-6-5-10-18(20)25-21(28)19-12-14(2)23-22(26-19)24-17-9-7-8-16(13-17)15(3)27/h5-13H,4H2,1-3H3,(H,25,28)(H,23,24,26).
What are the key properties of 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).