2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide

C23H25N5O — CID 109265440

IUPAC2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1Nc1ncc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C23H25N5O/c1-17-7-3-4-8-21(17)27-23-24-15-18(16-25-23)22(29)26-19-9-11-20(12-10-19)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,26,29)(H,24,25,27)
InChIKeyVAGJNASCEUTMRZ-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.77
Rot. Bonds5

About 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide

2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265440) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109265440
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1Nc1ncc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1
InChIInChI=1S/C23H25N5O/c1-17-7-3-4-8-21(17)27-23-24-15-18(16-25-23)22(29)26-19-9-11-20(12-10-19)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,26,29)(H,24,25,27)
InChIKeyVAGJNASCEUTMRZ-UHFFFAOYSA-N
XLogP4.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.77
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

N-(2,6-dimethylphenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109267034
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268626
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659
2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109263034
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
2-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270317
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268738
N-(3-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109270326
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide (CID 109265440) is 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide is Cc1ccccc1Nc1ncc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1.
What is the InChIKey of 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is VAGJNASCEUTMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-7-3-4-8-21(17)27-23-24-15-18(16-25-23)22(29)26-19-9-11-20(12-10-19)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,26,29)(H,24,25,27).
What are the key properties of 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide?
2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).