4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide

C22H22N4O3 — CID 110295472

IUPAC4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C22H22N4O3/c1-29-18-10-4-15(5-11-18)19-14-20(25-22(28)24-19)21(27)23-16-6-8-17(9-7-16)26-12-2-3-13-26/h4-11,14H,2-3,12-13H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyMBSZLJUCNPEIJJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.30
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide

4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide (PubChem CID 110295472) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide
PubChem CID110295472
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C22H22N4O3/c1-29-18-10-4-15(5-11-18)19-14-20(25-22(28)24-19)21(27)23-16-6-8-17(9-7-16)26-12-2-3-13-26/h4-11,14H,2-3,12-13H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyMBSZLJUCNPEIJJ-UHFFFAOYSA-N
XLogP3.30
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
N-(2-ethoxyphenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110295452
4-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 1345130
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659
N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110295366
4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295412
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide
CID 110426928
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide (CID 110295472) is 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is MBSZLJUCNPEIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-18-10-4-15(5-11-18)19-14-20(25-22(28)24-19)21(27)23-16-6-8-17(9-7-16)26-12-2-3-13-26/h4-11,14H,2-3,12-13H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide?
4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110295472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).