6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

C22H23N5O — CID 109355759

IUPAC6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C22H23N5O/c28-22(20-15-21(24-16-23-20)25-17-7-3-1-4-8-17)26-18-9-11-19(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,26,28)(H,23,24,25)
InChIKeyDFWXKCLBBBBDJA-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.46
Rot. Bonds5

About 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109355759) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109355759
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C22H23N5O/c28-22(20-15-21(24-16-23-20)25-17-7-3-1-4-8-17)26-18-9-11-19(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,26,28)(H,23,24,25)
InChIKeyDFWXKCLBBBBDJA-UHFFFAOYSA-N
XLogP4.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.46
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-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856
N-(4-cyanophenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109359625
N-(3-methylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356172
N-(2-methylphenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356024
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
N-(3,4-dimethylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356982
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
6-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109357187
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109355759) is 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DFWXKCLBBBBDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(20-15-21(24-16-23-20)25-17-7-3-1-4-8-17)26-18-9-11-19(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,26,28)(H,23,24,25).
What are the key properties of 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).