3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile

C15H20N4 — CID 82817357

IUPAC3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1nccc(C#N)c1N)C1CC2CCC1C2
InChIInChI=1S/C15H20N4/c1-9(13-7-10-2-3-11(13)6-10)19-15-14(17)12(8-16)4-5-18-15/h4-5,9-11,13H,2-3,6-7,17H2,1H3,(H,18,19)
InChIKeyHTELBZHNLOJXEB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds3

About 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile

3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 82817357) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile
PubChem CID82817357
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1nccc(C#N)c1N)C1CC2CCC1C2
InChIInChI=1S/C15H20N4/c1-9(13-7-10-2-3-11(13)6-10)19-15-14(17)12(8-16)4-5-18-15/h4-5,9-11,13H,2-3,6-7,17H2,1H3,(H,18,19)
InChIKeyHTELBZHNLOJXEB-UHFFFAOYSA-N
XLogP2.77
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Isopropylanilino)nicotinonitrile
CID 852637
1-(6-amino-3-pyridinyl)-2-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride
CID 9839532
1-(6-amino-3-pyridinyl)-2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine
CID 9993286
1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine
CID 10061695
1-(6-amino-3-pyridinyl)-3-cyano-2-[(1R,2S,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 10085293
2-(4-Butan-2-ylanilino)-3-pyridinecarbonitrile
CID 11842297
1-(6-amino-3-pyridinyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine;hydrochloride
CID 45260482
1-(6-amino-3-pyridinyl)-3-cyano-2-[(1R,2S,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]guanidine;hydrochloride
CID 45260502
1-(6-Amino-3-pyridinyl)-2-(2-bicyclo[2.2.1]heptanyl)-3-cyanoguanidine;hydrochloride
CID 49860424
2-[(1-Phenylethyl)amino]nicotinonitrile
CID 14975303
1-(6-Amino-3-pyridinyl)-2-(2-bicyclo[2.2.1]heptanyl)-3-cyanoguanidine
CID 9860244
AL-0671
CID 57415651

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile (CID 82817357) is 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile is CC(Nc1nccc(C#N)c1N)C1CC2CCC1C2.
What is the InChIKey of 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is HTELBZHNLOJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-9(13-7-10-2-3-11(13)6-10)19-15-14(17)12(8-16)4-5-18-15/h4-5,9-11,13H,2-3,6-7,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile?
3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).