6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile

C19H23N5O2 — CID 23646143

IUPAC6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCC(NCC(=O)N3CCC[C@H]3C#N)CC2)nc1
InChIInChI=1S/C19H23N5O2/c20-10-14-3-8-18(23-12-14)26-17-6-4-15(5-7-17)22-13-19(25)24-9-1-2-16(24)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2/t15?,16-,17?/m0/s1
InChIKeyYCHHGVIQSNZGAO-CGZBRXJRSA-N
MW353.43 g/mol
LogP1.75
Rot. Bonds5

About 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile

6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile (PubChem CID 23646143) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile
PubChem CID23646143
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCC(NCC(=O)N3CCC[C@H]3C#N)CC2)nc1
InChIInChI=1S/C19H23N5O2/c20-10-14-3-8-18(23-12-14)26-17-6-4-15(5-7-17)22-13-19(25)24-9-1-2-16(24)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2/t15?,16-,17?/m0/s1
InChIKeyYCHHGVIQSNZGAO-CGZBRXJRSA-N
XLogP1.75
TPSA102.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile with MolForge

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Related Compounds

6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 10339570
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 2524533
6-((1-Cycloheptyl-5-oxopyrrolidin-3-yl)methoxy)nicotinonitrile
CID 44419337
6-(((3R,4R)-1-cycloheptyl-4-methyl-5-oxopyrrolidin-3-yl)methoxy)nicotinonitrile
CID 44419341
N-methyl-2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 2534473
N'-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3117753
N-[(1S)-1-[4-[1-(6-ethoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315328
N-[(1S)-1-[4-[1-(4-methyl-6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 90315360
N-[(1S)-1-[4-[1-(6-propoxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668586
N-[(1S)-1-[4-[1-(6-propan-2-yloxy-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668591
N-[(1S)-1-[4-[(3R)-1-[5-cyano-2-(2-methylpropoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668940
N-[(1S)-1-[6-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxy-3-pyridinyl]ethyl]acetamide
CID 118473367

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile (CID 23646143) is 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CCC(NCC(=O)N3CCC[C@H]3C#N)CC2)nc1.
What is the InChIKey of 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile?
The InChIKey is YCHHGVIQSNZGAO-CGZBRXJRSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-10-14-3-8-18(23-12-14)26-17-6-4-15(5-7-17)22-13-19(25)24-9-1-2-16(24)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2/t15?,16-,17?/m0/s1.
What are the key properties of 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile?
6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 23646143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).