2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

C25H25N5O3 — CID 74222754

IUPAC2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-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(-c2ccncc2)n1
InChIInChI=1S/C25H25N5O3/c1-16-4-5-20(33-24-17(2)19(14-26)10-13-28-24)15-30(16)25(31)21-6-7-22(32-3)29-23(21)18-8-11-27-12-9-18/h6-13,16,20H,4-5,15H2,1-3H3/t16-,20-/m1/s1
InChIKeyDDQFSNGVSUTALS-OXQOHEQNSA-N
MW443.51 g/mol
LogP3.80
Rot. Bonds5

About 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile

2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (PubChem CID 74222754) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
PubChem CID74222754
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-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(-c2ccncc2)n1
InChIInChI=1S/C25H25N5O3/c1-16-4-5-20(33-24-17(2)19(14-26)10-13-28-24)15-30(16)25(31)21-6-7-22(32-3)29-23(21)18-8-11-27-12-9-18/h6-13,16,20H,4-5,15H2,1-3H3/t16-,20-/m1/s1
InChIKeyDDQFSNGVSUTALS-OXQOHEQNSA-N
XLogP3.80
TPSA101.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-cyano-N-[(3R)-3-[4-[4-(2-methoxyethoxy)-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 44511871
N-[(3R)-3-[4-[4-(2-amino-2-oxoethoxy)-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-6-cyano-2,4-dimethylpyridine-3-carboxamide
CID 57402802
US9546152, example 16
CID 74222326
3-(5-(4-Isopropylpiperazine-1-carbonyl)pyridin-2-yloxy)benzonitrile
CID 24771304
6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 59648084
US9546152, example 84
CID 74221903
US9546152, example 23
CID 74222406
US9546152, example 29
CID 74222492
US9546152, example 60
CID 74222941
US9546152, example 5
CID 118435993
6-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 127046167
2-[1-[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperidin-4-yl]oxypyridine-4-carbonitrile
CID 127046501

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile (CID 74222754) is 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-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(-c2ccncc2)n1.
What is the InChIKey of 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
The InChIKey is DDQFSNGVSUTALS-OXQOHEQNSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-4-5-20(33-24-17(2)19(14-26)10-13-28-24)15-30(16)25(31)21-6-7-22(32-3)29-23(21)18-8-11-27-12-9-18/h6-13,16,20H,4-5,15H2,1-3H3/t16-,20-/m1/s1.
What are the key properties of 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile?
2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile has a molecular weight of 443.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6R)-1-(6-methoxy-2-pyridin-4-ylpyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 74222754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).