3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile

C15H13N3 — CID 102772599

IUPAC3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile
SMILESN#Cc1cccc(NC2CCc3cccnc32)c1
InChIInChI=1S/C15H13N3/c16-10-11-3-1-5-13(9-11)18-14-7-6-12-4-2-8-17-15(12)14/h1-5,8-9,14,18H,6-7H2
InChIKeyXILLSJURSCBGGY-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.05
Rot. Bonds2

About 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile (PubChem CID 102772599) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile
PubChem CID102772599
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile
SMILESN#Cc1cccc(NC2CCc3cccnc32)c1
InChIInChI=1S/C15H13N3/c16-10-11-3-1-5-13(9-11)18-14-7-6-12-4-2-8-17-15(12)14/h1-5,8-9,14,18H,6-7H2
InChIKeyXILLSJURSCBGGY-UHFFFAOYSA-N
XLogP3.05
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
CID 79079725
N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773903
1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 102772921
3-(cyclododecylamino)benzonitrile
CID 63422717
N-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)phenyl]acetamide
CID 102772462
3-fluoro-4-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzonitrile
CID 79079890
N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146
N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773966
N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114259315
3-(2-cyclopropyl-3-pyridinyl)benzonitrile
CID 22317919
N-(4-pentylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772729
N-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 107584839

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile (CID 102772599) is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile is N#Cc1cccc(NC2CCc3cccnc32)c1.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile?
The InChIKey is XILLSJURSCBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-10-11-3-1-5-13(9-11)18-14-7-6-12-4-2-8-17-15(12)14/h1-5,8-9,14,18H,6-7H2.
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile?
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile is sourced from PubChem (CID 102772599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).