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

C16H21N3 — CID 107398660

IUPAC2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCN(CC1CCC1)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H21N3/c1-2-19(11-12-5-3-6-12)16-14(10-17)9-13-7-4-8-15(13)18-16/h9,12H,2-8,11H2,1H3
InChIKeyPXPFPPOAEPYPIR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.07
Rot. Bonds4

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

2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 107398660) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID107398660
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCN(CC1CCC1)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H21N3/c1-2-19(11-12-5-3-6-12)16-14(10-17)9-13-7-4-8-15(13)18-16/h9,12H,2-8,11H2,1H3
InChIKeyPXPFPPOAEPYPIR-UHFFFAOYSA-N
XLogP3.07
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 107398660) is 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCN(CC1CCC1)c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is PXPFPPOAEPYPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19(11-12-5-3-6-12)16-14(10-17)9-13-7-4-8-15(13)18-16/h9,12H,2-8,11H2,1H3.
What are the key properties of 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 107398660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).