2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

C21H20N4O3 — CID 71799041

IUPAC2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCOc1ccc2cc(C(=O)N3CCC(Oc4ncccc4C#N)CC3)[nH]c2c1
InChIInChI=1S/C21H20N4O3/c1-27-17-5-4-14-11-19(24-18(14)12-17)21(26)25-9-6-16(7-10-25)28-20-15(13-22)3-2-8-23-20/h2-5,8,11-12,16,24H,6-7,9-10H2,1H3
InChIKeyGLQXNXJYTFJMMD-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.13
Rot. Bonds4

About 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799041) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799041
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCOc1ccc2cc(C(=O)N3CCC(Oc4ncccc4C#N)CC3)[nH]c2c1
InChIInChI=1S/C21H20N4O3/c1-27-17-5-4-14-11-19(24-18(14)12-17)21(26)25-9-6-16(7-10-25)28-20-15(13-22)3-2-8-23-20/h2-5,8,11-12,16,24H,6-7,9-10H2,1H3
InChIKeyGLQXNXJYTFJMMD-UHFFFAOYSA-N
XLogP3.13
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628023
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026
(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone
CID 55957029
2-[1-(2,4-dimethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249097
2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 72717266
(6-methoxy-1H-indol-2-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887511
3-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626740
(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416402
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893730
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799041) is 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4C#N)CC3)[nH]c2c1.
What is the InChIKey of 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is GLQXNXJYTFJMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-17-5-4-14-11-19(24-18(14)12-17)21(26)25-9-6-16(7-10-25)28-20-15(13-22)3-2-8-23-20/h2-5,8,11-12,16,24H,6-7,9-10H2,1H3.
What are the key properties of 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 376.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).