2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide

C22H26N6O — CID 174386201

IUPAC2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide
SMILESCc1cc(C(C)(C(=O)Nc2ccccc2)N2CCCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C22H26N6O/c1-17-15-19(26-21(24-17)27-14-11-23-16-27)22(2,28-12-7-4-8-13-28)20(29)25-18-9-5-3-6-10-18/h3,5-6,9-11,14-16H,4,7-8,12-13H2,1-2H3,(H,25,29)
InChIKeyUCVWZXPKAXHNER-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide

2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide (PubChem CID 174386201) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide
PubChem CID174386201
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide
SMILESCc1cc(C(C)(C(=O)Nc2ccccc2)N2CCCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C22H26N6O/c1-17-15-19(26-21(24-17)27-14-11-23-16-27)22(2,28-12-7-4-8-13-28)20(29)25-18-9-5-3-6-10-18/h3,5-6,9-11,14-16H,4,7-8,12-13H2,1-2H3,(H,25,29)
InChIKeyUCVWZXPKAXHNER-UHFFFAOYSA-N
XLogP3.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide?
The IUPAC name of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide (CID 174386201) is 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide.
What is the SMILES notation for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide?
The canonical SMILES for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide is Cc1cc(C(C)(C(=O)Nc2ccccc2)N2CCCCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide?
The InChIKey is UCVWZXPKAXHNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-17-15-19(26-21(24-17)27-14-11-23-16-27)22(2,28-12-7-4-8-13-28)20(29)25-18-9-5-3-6-10-18/h3,5-6,9-11,14-16H,4,7-8,12-13H2,1-2H3,(H,25,29).
What are the key properties of 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide?
2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide has a molecular weight of 390.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-phenyl-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 174386201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).