2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C13H18N4 — CID 63731206

IUPAC2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCC(N)CNc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C13H18N4/c1-2-11(15)8-16-13-10(7-14)6-9-4-3-5-12(9)17-13/h6,11H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyMEJAVEGONVNZIQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.59
Rot. Bonds4

About 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 63731206) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID63731206
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCC(N)CNc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C13H18N4/c1-2-11(15)8-16-13-10(7-14)6-9-4-3-5-12(9)17-13/h6,11H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyMEJAVEGONVNZIQ-UHFFFAOYSA-N
XLogP1.59
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(6-Amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
CID 134686794
(9R,13R)-4,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409096
(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-4-carbonitrile
CID 44409124
N'-[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]ethane-1,2-diamine;hydrochloride
CID 44570759
N'-[(3R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]ethane-1,2-diamine;hydrochloride
CID 52942929
1-(2-methylpropyl)-3-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 951314
2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 668109
3-(2-Aminoethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 2290378
trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)ethane-1,2-diamine
CID 49837180
N1-{(+/-)-4''-[(6''''-amino-4''''-methylpyridin-2''''-yl)methyl]pyrrolidin-3''-yl}ethane-1,2-diamine tetrahydrochloride
CID 11188611
2-amino-5H,6H,7H-cyclopenta(b)pyridine-3-carbonitrile
CID 12377259
N'-[4-[(6-amino-4-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]ethane-1,2-diamine
CID 44592964

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 63731206) is 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCC(N)CNc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is MEJAVEGONVNZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-11(15)8-16-13-10(7-14)6-9-4-3-5-12(9)17-13/h6,11H,2-5,8,15H2,1H3,(H,16,17).
What are the key properties of 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 63731206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).