2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

C23H31N5O — CID 109312527

IUPAC2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C23H31N5O/c1-2-19-8-4-7-17-28(19)23-24-14-13-21(26-23)22(29)25-18-9-11-20(12-10-18)27-15-5-3-6-16-27/h9-14,19H,2-8,15-17H2,1H3,(H,25,29)
InChIKeyGJPBKTCWZVGFPQ-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.49
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109312527) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109312527
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C23H31N5O/c1-2-19-8-4-7-17-28(19)23-24-14-13-21(26-23)22(29)25-18-9-11-20(12-10-18)27-15-5-3-6-16-27/h9-14,19H,2-8,15-17H2,1H3,(H,25,29)
InChIKeyGJPBKTCWZVGFPQ-UHFFFAOYSA-N
XLogP4.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
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-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109295796
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109312509
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109312527) is 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is CCC1CCCCN1c1nccc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GJPBKTCWZVGFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-2-19-8-4-7-17-28(19)23-24-14-13-21(26-23)22(29)25-18-9-11-20(12-10-18)27-15-5-3-6-16-27/h9-14,19H,2-8,15-17H2,1H3,(H,25,29).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).