2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile

C22H24N4O3 — CID 71526475

IUPAC2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(C2CC2)n1
InChIInChI=1S/C22H24N4O3/c1-14-3-6-17(29-20-11-15(12-23)9-10-24-20)13-26(14)22(27)18-7-8-19(28-2)25-21(18)16-4-5-16/h7-11,14,16-17H,3-6,13H2,1-2H3/t14-,17-/m1/s1
InChIKeyPYKHPQALSQAILK-RHSMWYFYSA-N
MW392.46 g/mol
LogP3.31
Rot. Bonds5

About 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile

2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 71526475) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID71526475
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
SMILESCOc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(C2CC2)n1
InChIInChI=1S/C22H24N4O3/c1-14-3-6-17(29-20-11-15(12-23)9-10-24-20)13-26(14)22(27)18-7-8-19(28-2)25-21(18)16-4-5-16/h7-11,14,16-17H,3-6,13H2,1-2H3/t14-,17-/m1/s1
InChIKeyPYKHPQALSQAILK-RHSMWYFYSA-N
XLogP3.31
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile with MolForge

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Related Compounds

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CID 74222326
US9546152, example 19
CID 74222402
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CID 24771304
US9546152, example 84
CID 74221903
US9546152, example 23
CID 74222406
US9546152, example 29
CID 74222492
US9546152, example 48
CID 74222754
US9546152, example 60
CID 74222941
US9546152, example 5
CID 118435993
2-[(3R,6R)-6-methyl-1-[2-(2,2,2-trifluoroethyl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 118736963
6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-2-carbonitrile
CID 127046997
1-[3-[2-[1-(Pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548142

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile (CID 71526475) is 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile is COc1ccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c(C2CC2)n1.
What is the InChIKey of 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is PYKHPQALSQAILK-RHSMWYFYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-3-6-17(29-20-11-15(12-23)9-10-24-20)13-26(14)22(27)18-7-8-19(28-2)25-21(18)16-4-5-16/h7-11,14,16-17H,3-6,13H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile?
2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 71526475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).