5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile

C13H18N4O — CID 54993728

IUPAC5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1N(CCO)C1CCCC1
InChIInChI=1S/C13H18N4O/c14-8-10-7-11(15)9-16-13(10)17(5-6-18)12-3-1-2-4-12/h7,9,12,18H,1-6,15H2
InChIKeyHMXXWNPEEJULNI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.28
Rot. Bonds4

About 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile

5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile (PubChem CID 54993728) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
PubChem CID54993728
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1N(CCO)C1CCCC1
InChIInChI=1S/C13H18N4O/c14-8-10-7-11(15)9-16-13(10)17(5-6-18)12-3-1-2-4-12/h7,9,12,18H,1-6,15H2
InChIKeyHMXXWNPEEJULNI-UHFFFAOYSA-N
XLogP1.28
TPSA86.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[cyclopentyl(ethyl)amino]pyridine-3-carbonitrile
CID 54860618
5-amino-2-[cyclobutyl(2-hydroxyethyl)amino]pyridine-3-carboxamide
CID 102859460
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile
CID 102862392
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
2-[cyclopentyl(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875315
5-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyridine-3-carbonitrile
CID 113467670
2-[(5-amino-3-pyridinyl)-cyclohexylamino]ethanol
CID 104533748
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 104716539
5-amino-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxamide
CID 102859267
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61431773

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile (CID 54993728) is 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1N(CCO)C1CCCC1.
What is the InChIKey of 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile?
The InChIKey is HMXXWNPEEJULNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-8-10-7-11(15)9-16-13(10)17(5-6-18)12-3-1-2-4-12/h7,9,12,18H,1-6,15H2.
What are the key properties of 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile?
5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 54993728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).