3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile

C25H24N4O2 — CID 74222406

IUPAC3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccncc2-c2ccccc2)C1
InChIInChI=1S/C25H24N4O2/c1-17-8-9-21(31-24-18(2)20(14-26)10-13-28-24)16-29(17)25(30)22-11-12-27-15-23(22)19-6-4-3-5-7-19/h3-7,10-13,15,17,21H,8-9,16H2,1-2H3/t17-,21-/m1/s1
InChIKeyULVHKKXUBBTJCS-DYESRHJHSA-N
MW412.49 g/mol
LogP4.40
Rot. Bonds4

About 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile

3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 74222406) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID74222406
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccncc2-c2ccccc2)C1
InChIInChI=1S/C25H24N4O2/c1-17-8-9-21(31-24-18(2)20(14-26)10-13-28-24)16-29(17)25(30)22-11-12-27-15-23(22)19-6-4-3-5-7-19/h3-7,10-13,15,17,21H,8-9,16H2,1-2H3/t17-,21-/m1/s1
InChIKeyULVHKKXUBBTJCS-DYESRHJHSA-N
XLogP4.40
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile (CID 74222406) is 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile is Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccncc2-c2ccccc2)C1.
What is the InChIKey of 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is ULVHKKXUBBTJCS-DYESRHJHSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-17-8-9-21(31-24-18(2)20(14-26)10-13-28-24)16-29(17)25(30)22-11-12-27-15-23(22)19-6-4-3-5-7-19/h3-7,10-13,15,17,21H,8-9,16H2,1-2H3/t17-,21-/m1/s1.
What are the key properties of 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile?
3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 412.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3R,6R)-6-methyl-1-(3-phenylpyridine-4-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 74222406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).