2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H11ClN4 — CID 64916599

IUPAC2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H11ClN4/c17-13-5-4-11(8-18)15(7-13)21-16-12(9-19)6-10-2-1-3-14(10)20-16/h4-7H,1-3H2,(H,20,21)
InChIKeyMUAQOIXSEPPAFN-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.71
Rot. Bonds2

About 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 64916599) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID64916599
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H11ClN4/c17-13-5-4-11(8-18)15(7-13)21-16-12(9-19)6-10-2-1-3-14(10)20-16/h4-7H,1-3H2,(H,20,21)
InChIKeyMUAQOIXSEPPAFN-UHFFFAOYSA-N
XLogP3.71
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloroanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63517647
2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944869
2-(2-bromo-4-chloroanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 81269273
2-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107635244
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103586116
2-[1-(4-chlorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981704
2-[(3-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980322
4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
CID 63093228
2-(4-bromo-3-fluoroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65435376
N-(5-chloro-2-cyanophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 78830896
2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968717

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 64916599) is 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1ccc(Cl)cc1Nc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is MUAQOIXSEPPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-13-5-4-11(8-18)15(7-13)21-16-12(9-19)6-10-2-1-3-14(10)20-16/h4-7H,1-3H2,(H,20,21).
What are the key properties of 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 294.75 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 64916599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).