4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile

C15H15N3S — CID 63881524

IUPAC4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNCc2cc3c(s2)CCC3)ccn1
InChIInChI=1S/C15H15N3S/c16-8-13-6-11(4-5-18-13)9-17-10-14-7-12-2-1-3-15(12)19-14/h4-7,17H,1-3,9-10H2
InChIKeyIXCKSBGMLYJOHX-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.79
Rot. Bonds4

About 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile

4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile (PubChem CID 63881524) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
PubChem CID63881524
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNCc2cc3c(s2)CCC3)ccn1
InChIInChI=1S/C15H15N3S/c16-8-13-6-11(4-5-18-13)9-17-10-14-7-12-2-1-3-15(12)19-14/h4-7,17H,1-3,9-10H2
InChIKeyIXCKSBGMLYJOHX-UHFFFAOYSA-N
XLogP2.79
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile (CID 63881524) is 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNCc2cc3c(s2)CCC3)ccn1.
What is the InChIKey of 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is IXCKSBGMLYJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-8-13-6-11(4-5-18-13)9-17-10-14-7-12-2-1-3-15(12)19-14/h4-7,17H,1-3,9-10H2.
What are the key properties of 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile?
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 269.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).