N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide

C23H25N5O — CID 109356024

IUPACN-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ncn1
InChIInChI=1S/C23H25N5O/c1-17-7-3-4-8-20(17)27-23(29)21-15-22(25-16-24-21)26-18-9-11-19(12-10-18)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,29)(H,24,25,26)
InChIKeyOPSHXQSHOGHXSU-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.77
Rot. Bonds5

About N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide

N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109356024) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
PubChem CID109356024
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ncn1
InChIInChI=1S/C23H25N5O/c1-17-7-3-4-8-20(17)27-23(29)21-15-22(25-16-24-21)26-18-9-11-19(12-10-18)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,29)(H,24,25,26)
InChIKeyOPSHXQSHOGHXSU-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

6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109355759
N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856
6-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109357187
N-(3,4-dimethylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356982
N-(3-methylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356172
N-(4-cyanophenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109359625
6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109356045
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide (CID 109356024) is N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide is Cc1ccccc1NC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)ncn1.
What is the InChIKey of N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is OPSHXQSHOGHXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-7-3-4-8-20(17)27-23(29)21-15-22(25-16-24-21)26-18-9-11-19(12-10-18)28-13-5-2-6-14-28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,27,29)(H,24,25,26).
What are the key properties of N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-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 N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).