4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile

C16H22N4O — CID 171358976

IUPAC4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1NC1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C16H22N4O/c17-9-14-10-18-5-1-16(14)19-15-2-6-20(7-3-15)11-13-4-8-21-12-13/h1,5,10,13,15H,2-4,6-8,11-12H2,(H,18,19)/t13-/m1/s1
InChIKeyJXXLVNGZXVONFV-CYBMUJFWSA-N
MW286.38 g/mol
LogP1.87
Rot. Bonds4

About 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile

4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 171358976) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID171358976
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1NC1CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C16H22N4O/c17-9-14-10-18-5-1-16(14)19-15-2-6-20(7-3-15)11-13-4-8-21-12-13/h1,5,10,13,15H,2-4,6-8,11-12H2,(H,18,19)/t13-/m1/s1
InChIKeyJXXLVNGZXVONFV-CYBMUJFWSA-N
XLogP1.87
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133305271
N-(2-nitrophenyl)-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133305220
4-acetyl-3-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 133458319
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 133305195
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
CID 125135997
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
2-chloro-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]benzonitrile
CID 133335940
2-[(1S,2S)-2-[(3-cyano-4-pyridinyl)amino]cyclohexyl]-N-(oxan-4-ylmethyl)acetamide
CID 167934049
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133305246

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile (CID 171358976) is 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile is N#Cc1cnccc1NC1CCN(C[C@H]2CCOC2)CC1.
What is the InChIKey of 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is JXXLVNGZXVONFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c17-9-14-10-18-5-1-16(14)19-15-2-6-20(7-3-15)11-13-4-8-21-12-13/h1,5,10,13,15H,2-4,6-8,11-12H2,(H,18,19)/t13-/m1/s1.
What are the key properties of 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile?
4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 171358976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).