6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C27H34N6O3 — CID 67464213

IUPAC6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESCC1CN(c2ccc(C(N)=O)cn2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1
InChIInChI=1S/C27H34N6O3/c1-16-15-32(22-6-5-18(14-29-22)25(28)34)7-8-33(16)23-4-2-3-21(30-23)26(35)31-24-19-9-17-10-20(24)13-27(36,11-17)12-19/h2-6,14,16-17,19-20,24,36H,7-13,15H2,1H3,(H2,28,34)(H,31,35)
InChIKeyQDZMQKLMVCTLHC-UHFFFAOYSA-N
MW490.61 g/mol
LogP1.96
Rot. Bonds5

About 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 67464213) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID67464213
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESCC1CN(c2ccc(C(N)=O)cn2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1
InChIInChI=1S/C27H34N6O3/c1-16-15-32(22-6-5-18(14-29-22)25(28)34)7-8-33(16)23-4-2-3-21(30-23)26(35)31-24-19-9-17-10-20(24)13-27(36,11-17)12-19/h2-6,14,16-17,19-20,24,36H,7-13,15H2,1H3,(H2,28,34)(H,31,35)
InChIKeyQDZMQKLMVCTLHC-UHFFFAOYSA-N
XLogP1.96
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 67464213) is 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is CC1CN(c2ccc(C(N)=O)cn2)CCN1c1cccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)n1.
What is the InChIKey of 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is QDZMQKLMVCTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-16-15-32(22-6-5-18(14-29-22)25(28)34)7-8-33(16)23-4-2-3-21(30-23)26(35)31-24-19-9-17-10-20(24)13-27(36,11-17)12-19/h2-6,14,16-17,19-20,24,36H,7-13,15H2,1H3,(H2,28,34)(H,31,35).
What are the key properties of 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-carbamoyl-2-pyridinyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 67464213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).