2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide

C20H18N4O3 — CID 109269511

IUPAC2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)c1
InChIInChI=1S/C20H18N4O3/c1-13(25)14-6-8-16(9-7-14)24-20-21-11-15(12-22-20)19(26)23-17-4-3-5-18(10-17)27-2/h3-12H,1-2H3,(H,23,26)(H,21,22,24)
InChIKeySGNWPQJDKPBSLE-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide

2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109269511) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109269511
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)c1
InChIInChI=1S/C20H18N4O3/c1-13(25)14-6-8-16(9-7-14)24-20-21-11-15(12-22-20)19(26)23-17-4-3-5-18(10-17)27-2/h3-12H,1-2H3,(H,23,26)(H,21,22,24)
InChIKeySGNWPQJDKPBSLE-UHFFFAOYSA-N
XLogP3.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269533
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide (CID 109269511) is 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide is COc1cccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)c1.
What is the InChIKey of 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is SGNWPQJDKPBSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13(25)14-6-8-16(9-7-14)24-20-21-11-15(12-22-20)19(26)23-17-4-3-5-18(10-17)27-2/h3-12H,1-2H3,(H,23,26)(H,21,22,24).
What are the key properties of 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).