2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H13F2N3 — CID 62050418

IUPAC2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCc1ccc(F)cc1F)CCC2
InChIInChI=1S/C16H13F2N3/c17-13-5-4-11(14(18)7-13)9-20-16-12(8-19)6-10-2-1-3-15(10)21-16/h4-7H,1-3,9H2,(H,20,21)
InChIKeyPCINVWJDXLUCEK-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.33
Rot. Bonds3

About 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 62050418) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID62050418
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCc1ccc(F)cc1F)CCC2
InChIInChI=1S/C16H13F2N3/c17-13-5-4-11(14(18)7-13)9-20-16-12(8-19)6-10-2-1-3-15(10)21-16/h4-7H,1-3,9H2,(H,20,21)
InChIKeyPCINVWJDXLUCEK-UHFFFAOYSA-N
XLogP3.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
methyl 3-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]-4-fluorobenzoate
CID 133449676
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968727
2-[(3-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980322
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-(4-bromo-3-fluoroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65435376
2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82737349
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207722
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 55207503

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 62050418) is 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NCc1ccc(F)cc1F)CCC2.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is PCINVWJDXLUCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-13-5-4-11(14(18)7-13)9-20-16-12(8-19)6-10-2-1-3-15(10)21-16/h4-7H,1-3,9H2,(H,20,21).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 285.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 62050418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).