4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide

C26H31N5O3 — CID 42882386

IUPAC4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2nc(-c3ccccc3)ncc2C(=O)NCCN2CCCCC2)cc1OC
InChIInChI=1S/C26H31N5O3/c1-33-22-12-11-20(17-23(22)34-2)29-25-21(18-28-24(30-25)19-9-5-3-6-10-19)26(32)27-13-16-31-14-7-4-8-15-31/h3,5-6,9-12,17-18H,4,7-8,13-16H2,1-2H3,(H,27,32)(H,28,29,30)
InChIKeyFLFYWPKLERHQHN-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.12
Rot. Bonds9

About 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide

4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide (PubChem CID 42882386) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
PubChem CID42882386
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2nc(-c3ccccc3)ncc2C(=O)NCCN2CCCCC2)cc1OC
InChIInChI=1S/C26H31N5O3/c1-33-22-12-11-20(17-23(22)34-2)29-25-21(18-28-24(30-25)19-9-5-3-6-10-19)26(32)27-13-16-31-14-7-4-8-15-31/h3,5-6,9-12,17-18H,4,7-8,13-16H2,1-2H3,(H,27,32)(H,28,29,30)
InChIKeyFLFYWPKLERHQHN-UHFFFAOYSA-N
XLogP4.12
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)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

3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
CID 42882414
2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 68809387
2-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-4-anilino-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
CID 46918314
2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 508482
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
CID 139616736
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103290
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
4-[ethyl(methyl)amino]-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-5-carboxamide
CID 42673443

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide (CID 42882386) is 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide is COc1ccc(Nc2nc(-c3ccccc3)ncc2C(=O)NCCN2CCCCC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is FLFYWPKLERHQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-33-22-12-11-20(17-23(22)34-2)29-25-21(18-28-24(30-25)19-9-5-3-6-10-19)26(32)27-13-16-31-14-7-4-8-15-31/h3,5-6,9-12,17-18H,4,7-8,13-16H2,1-2H3,(H,27,32)(H,28,29,30).
What are the key properties of 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide?
4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42882386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).