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

C19H19ClN4O3 — CID 71526566

IUPAC2-[(3R,6R)-1-(2-chloro-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(Cl)n1
InChIInChI=1S/C19H19ClN4O3/c1-12-3-4-14(27-17-9-13(10-21)7-8-22-17)11-24(12)19(25)15-5-6-16(26-2)23-18(15)20/h5-9,12,14H,3-4,11H2,1-2H3/t12-,14-/m1/s1
InChIKeyPDAHPFXIZOIXET-TZMCWYRMSA-N
MW386.84 g/mol
LogP3.08
Rot. Bonds4

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

2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 71526566) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID71526566
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name2-[(3R,6R)-1-(2-chloro-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(Cl)n1
InChIInChI=1S/C19H19ClN4O3/c1-12-3-4-14(27-17-9-13(10-21)7-8-22-17)11-24(12)19(25)15-5-6-16(26-2)23-18(15)20/h5-9,12,14H,3-4,11H2,1-2H3/t12-,14-/m1/s1
InChIKeyPDAHPFXIZOIXET-TZMCWYRMSA-N
XLogP3.08
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-3-pyridinyl)(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone
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(6-(3-Chlorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
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3-(5-(4-Isopropylpiperazine-1-carbonyl)pyridin-2-yloxy)benzonitrile
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(6-(4-Chlorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771305
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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile (CID 71526566) is 2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R,6R)-1-(2-chloro-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(Cl)n1.
What is the InChIKey of 2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is PDAHPFXIZOIXET-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-12-3-4-14(27-17-9-13(10-21)7-8-22-17)11-24(12)19(25)15-5-6-16(26-2)23-18(15)20/h5-9,12,14H,3-4,11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of 2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile?
2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 386.84 g/mol, XLogP of 3.08, 4 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-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 71526566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).