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

C23H26N4O3 — CID 118435993

IUPAC2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCOc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(C2CC2)n1
InChIInChI=1S/C23H26N4O3/c1-14-4-7-18(30-22-15(2)17(12-24)10-11-25-22)13-27(14)23(28)19-8-9-20(29-3)26-21(19)16-5-6-16/h8-11,14,16,18H,4-7,13H2,1-3H3/t14-,18-/m1/s1
InChIKeyPYHYFXUZMSOPCS-RDTXWAMCSA-N
MW406.49 g/mol
LogP3.61
Rot. Bonds5

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

2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (PubChem CID 118435993) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
PubChem CID118435993
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
SMILESCOc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(C2CC2)n1
InChIInChI=1S/C23H26N4O3/c1-14-4-7-18(30-22-15(2)17(12-24)10-11-25-22)13-27(14)23(28)19-8-9-20(29-3)26-21(19)16-5-6-16/h8-11,14,16,18H,4-7,13H2,1-3H3/t14-,18-/m1/s1
InChIKeyPYHYFXUZMSOPCS-RDTXWAMCSA-N
XLogP3.61
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 24771304
US9546152, example 84
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US9546152, example 23
CID 74222406
US9546152, example 29
CID 74222492
US9546152, example 48
CID 74222754
US9546152, example 60
CID 74222941
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
6-ethoxy-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67238785

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (CID 118435993) is 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)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]oxy-3-methylpyridine-4-carbonitrile?
The InChIKey is PYHYFXUZMSOPCS-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14-4-7-18(30-22-15(2)17(12-24)10-11-25-22)13-27(14)23(28)19-8-9-20(29-3)26-21(19)16-5-6-16/h8-11,14,16,18H,4-7,13H2,1-3H3/t14-,18-/m1/s1.
What are the key properties of 2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
2-[(3R,6R)-1-(2-cyclopropyl-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile has a molecular weight of 406.49 g/mol, XLogP of 3.61, 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]oxy-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 118435993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).