6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C30H41N5O2 — CID 67468039

IUPAC6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(C)(C)N)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1
InChIInChI=1S/C30H41N5O2/c1-19-18-34(24-9-7-23(8-10-24)29(2,3)31)11-12-35(19)26-6-4-5-25(32-26)28(36)33-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,37H,11-18,31H2,1-3H3,(H,33,36)/t19-,20?,21?,22?,27?,30?/m1/s1
InChIKeyHWBWFDGYBNYGSP-OUGCDNELSA-N
MW503.69 g/mol
LogP3.66
Rot. Bonds5

About 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 67468039) has the molecular formula C30H41N5O2 and a molecular weight of 503.69 g/mol. Its IUPAC name is 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID67468039
Molecular FormulaC30H41N5O2
Molecular Weight503.69 g/mol
Exact Mass503.33
IUPAC Name6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(C)(C)N)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1
InChIInChI=1S/C30H41N5O2/c1-19-18-34(24-9-7-23(8-10-24)29(2,3)31)11-12-35(19)26-6-4-5-25(32-26)28(36)33-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,37H,11-18,31H2,1-3H3,(H,33,36)/t19-,20?,21?,22?,27?,30?/m1/s1
InChIKeyHWBWFDGYBNYGSP-OUGCDNELSA-N
XLogP3.66
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.69
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 67468039) is 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is C[C@@H]1CN(c2ccc(C(C)(C)N)cc2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1.
What is the InChIKey of 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is HWBWFDGYBNYGSP-OUGCDNELSA-N. The full InChI is InChI=1S/C30H41N5O2/c1-19-18-34(24-9-7-23(8-10-24)29(2,3)31)11-12-35(19)26-6-4-5-25(32-26)28(36)33-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,37H,11-18,31H2,1-3H3,(H,33,36)/t19-,20?,21?,22?,27?,30?/m1/s1.
What are the key properties of 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 503.69 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-4-[4-(2-aminopropan-2-yl)phenyl]-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 67468039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).