N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide

C21H20N4O3 — CID 109306415

IUPACN-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-14(26)16-5-7-17(8-6-16)24-20(27)19-11-12-22-21(25-19)23-13-15-3-9-18(28-2)10-4-15/h3-12H,13H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyYBRBPXHNBAZNBI-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.55
Rot. Bonds7

About N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109306415) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109306415
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N4O3/c1-14(26)16-5-7-17(8-6-16)24-20(27)19-11-12-22-21(25-19)23-13-15-3-9-18(28-2)10-4-15/h3-12H,13H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyYBRBPXHNBAZNBI-UHFFFAOYSA-N
XLogP3.55
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
N-(4-acetylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282562
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306424
N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318052
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306011
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (CID 109306415) is N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is COc1ccc(CNc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is YBRBPXHNBAZNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(26)16-5-7-17(8-6-16)24-20(27)19-11-12-22-21(25-19)23-13-15-3-9-18(28-2)10-4-15/h3-12H,13H2,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109306415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).