2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide

C18H22N4O2 — CID 56759980

IUPAC2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C2(O)CCN(c3nc(C)ccc3C(N)=O)CC2)nc1
InChIInChI=1S/C18H22N4O2/c1-12-3-6-15(20-11-12)18(24)7-9-22(10-8-18)17-14(16(19)23)5-4-13(2)21-17/h3-6,11,24H,7-10H2,1-2H3,(H2,19,23)
InChIKeyUMQXQSURGXDBSZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide

2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide (PubChem CID 56759980) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
PubChem CID56759980
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C2(O)CCN(c3nc(C)ccc3C(N)=O)CC2)nc1
InChIInChI=1S/C18H22N4O2/c1-12-3-6-15(20-11-12)18(24)7-9-22(10-8-18)17-14(16(19)23)5-4-13(2)21-17/h3-6,11,24H,7-10H2,1-2H3,(H2,19,23)
InChIKeyUMQXQSURGXDBSZ-UHFFFAOYSA-N
XLogP1.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide (CID 56759980) is 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C2(O)CCN(c3nc(C)ccc3C(N)=O)CC2)nc1.
What is the InChIKey of 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is UMQXQSURGXDBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-3-6-15(20-11-12)18(24)7-9-22(10-8-18)17-14(16(19)23)5-4-13(2)21-17/h3-6,11,24H,7-10H2,1-2H3,(H2,19,23).
What are the key properties of 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide?
2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 56759980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).