N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide

C22H29N5O — CID 109298915

IUPACN-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C22H29N5O/c28-21(24-17-7-3-1-4-8-17)20-13-14-23-22(26-20)25-18-9-11-19(12-10-18)27-15-5-2-6-16-27/h9-14,17H,1-8,15-16H2,(H,24,28)(H,23,25,26)
InChIKeyNQQJBEWTPPESJB-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.27
Rot. Bonds5

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

N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109298915) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
PubChem CID109298915
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C22H29N5O/c28-21(24-17-7-3-1-4-8-17)20-13-14-23-22(26-20)25-18-9-11-19(12-10-18)27-15-5-2-6-16-27/h9-14,17H,1-8,15-16H2,(H,24,28)(H,23,25,26)
InChIKeyNQQJBEWTPPESJB-UHFFFAOYSA-N
XLogP4.27
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.27
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

2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298906
azepan-1-yl-[2-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109313350
N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298869
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
N-cyclopentyl-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109298177
N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109297037
2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295859
morpholin-4-yl-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109300656
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109318438
N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109314943
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide (CID 109298915) is N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1ccnc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is NQQJBEWTPPESJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c28-21(24-17-7-3-1-4-8-17)20-13-14-23-22(26-20)25-18-9-11-19(12-10-18)27-15-5-2-6-16-27/h9-14,17H,1-8,15-16H2,(H,24,28)(H,23,25,26).
What are the key properties of N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).