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

C16H17N3S — CID 60970108

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCN(Cc1cccs1)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H17N3S/c1-2-19(11-14-6-4-8-20-14)16-13(10-17)9-12-5-3-7-15(12)18-16/h4,6,8-9H,2-3,5,7,11H2,1H3
InChIKeyHOPMYWOLGUJYLY-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.53
Rot. Bonds4

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

2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60970108) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60970108
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCN(Cc1cccs1)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H17N3S/c1-2-19(11-14-6-4-8-20-14)16-13(10-17)9-12-5-3-7-15(12)18-16/h4,6,8-9H,2-3,5,7,11H2,1H3
InChIKeyHOPMYWOLGUJYLY-UHFFFAOYSA-N
XLogP3.53
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Piperidinyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726260
2-Amino-4,6-di(2-thienyl)nicotinonitrile
CID 2817024
2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
2-Amino-6-(4-fluoro-phenyl)-5-methyl-4-thiophen-2-yl-nicotinonitrile
CID 936317
2-(Methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726257
2-(Dimethylamino)-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
CID 2726258
2-Amino-5-methyl-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 934303
2-Amino-5-ethyl-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile
CID 937999
2-amino-4-(5-methyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679425
1-(6-Butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
CID 46186936
1-Methyl-4-(6-methyl-4-thiophen-3-yl-2-pyridinyl)piperazine
CID 46203642

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60970108) is 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCN(Cc1cccs1)c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is HOPMYWOLGUJYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-19(11-14-6-4-8-20-14)16-13(10-17)9-12-5-3-7-15(12)18-16/h4,6,8-9H,2-3,5,7,11H2,1H3.
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 283.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60970108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).