2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide

C22H23N5O2 — CID 109269659

IUPAC2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3ccc(N4CCCC4)cc3)cn2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-20-10-6-18(7-11-20)26-22-23-14-16(15-24-22)21(28)25-17-4-8-19(9-5-17)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyXFEASWXUIPRJBR-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide

2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109269659) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109269659
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ncc(C(=O)Nc3ccc(N4CCCC4)cc3)cn2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-20-10-6-18(7-11-20)26-22-23-14-16(15-24-22)21(28)25-17-4-8-19(9-5-17)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyXFEASWXUIPRJBR-UHFFFAOYSA-N
XLogP4.08
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
N-(2,6-dimethylphenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109267034
2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109263034
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
N-(3-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109270326
2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109265440
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268738
2-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270317
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268626

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide (CID 109269659) is 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide is COc1ccc(Nc2ncc(C(=O)Nc3ccc(N4CCCC4)cc3)cn2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is XFEASWXUIPRJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-20-10-6-18(7-11-20)26-22-23-14-16(15-24-22)21(28)25-17-4-8-19(9-5-17)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13H2,1H3,(H,25,28)(H,23,24,26).
What are the key properties of 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide?
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).