N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

C21H21N5O3 — CID 109258158

IUPACN-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)cc1
InChIInChI=1S/C21H21N5O3/c1-14(27)25-17-5-7-18(8-6-17)26-20(28)16-12-23-21(24-13-16)22-11-15-3-9-19(29-2)10-4-15/h3-10,12-13H,11H2,1-2H3,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyFXVOAYBSTQFPIN-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.31
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109258158) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109258158
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)cc1
InChIInChI=1S/C21H21N5O3/c1-14(27)25-17-5-7-18(8-6-17)26-20(28)16-12-23-21(24-13-16)22-11-15-3-9-19(29-2)10-4-15/h3-10,12-13H,11H2,1-2H3,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyFXVOAYBSTQFPIN-UHFFFAOYSA-N
XLogP3.31
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282564
N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258170
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
methyl 4-[[2-(benzylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109255488
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306415
N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256303

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 109258158) is N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccc(CNc2ncc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is FXVOAYBSTQFPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14(27)25-17-5-7-18(8-6-17)26-20(28)16-12-23-21(24-13-16)22-11-15-3-9-19(29-2)10-4-15/h3-10,12-13H,11H2,1-2H3,(H,25,27)(H,26,28)(H,22,23,24).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109258158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).