2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

C16H22N4O — CID 133305271

IUPAC2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C16H22N4O/c17-10-14-2-1-6-18-16(14)19-15-3-7-20(8-4-15)11-13-5-9-21-12-13/h1-2,6,13,15H,3-5,7-9,11-12H2,(H,18,19)
InChIKeyBNPOMRAFQCGYPA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.87
Rot. Bonds4

About 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 133305271) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID133305271
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C16H22N4O/c17-10-14-2-1-6-18-16(14)19-15-3-7-20(8-4-15)11-13-5-9-21-12-13/h1-2,6,13,15H,3-5,7-9,11-12H2,(H,18,19)
InChIKeyBNPOMRAFQCGYPA-UHFFFAOYSA-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

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Related Compounds

4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 171358976
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
CID 124515152
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
N-(2-nitrophenyl)-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 133305220
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
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133305265
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (CID 133305271) is 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1NC1CCN(CC2CCOC2)CC1.
What is the InChIKey of 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is BNPOMRAFQCGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-10-14-2-1-6-18-16(14)19-15-3-7-20(8-4-15)11-13-5-9-21-12-13/h1-2,6,13,15H,3-5,7-9,11-12H2,(H,18,19).
What are the key properties of 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
2-[[1-(oxolan-3-ylmethyl)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 2-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133305271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).