2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide

C22H21ClN4O — CID 163659362

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C22H21ClN4O/c23-16-4-1-3-15(12-16)20-13-21(18-5-2-6-19(18)26-20)25-17-9-7-14(8-10-17)11-22(28)27-24/h1,3-4,7-10,12-13H,2,5-6,11,24H2,(H,25,26)(H,27,28)
InChIKeyITAWCHQUUQYKAC-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.17
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide

2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide (PubChem CID 163659362) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide
PubChem CID163659362
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C22H21ClN4O/c23-16-4-1-3-15(12-16)20-13-21(18-5-2-6-19(18)26-20)25-17-9-7-14(8-10-17)11-22(28)27-24/h1,3-4,7-10,12-13H,2,5-6,11,24H2,(H,25,26)(H,27,28)
InChIKeyITAWCHQUUQYKAC-UHFFFAOYSA-N
XLogP4.17
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide with MolForge

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Related Compounds

2-(3-chlorophenyl)-N-[4-(2-methylpropyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 131966721
3-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]propan-1-ol;hydrochloride
CID 118037249
methyl 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenoxy]acetate
CID 90112439
1-[4-[[2-(5-chloro-3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]propan-2-one
CID 161151882
methyl 2-[5-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]-2-pyridinyl]acetate
CID 90338521
1-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-2-nitrosoethanol
CID 156544016
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenyl]acetamide
CID 118037253
ethyl 2-[4-[(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]acetate
CID 118037309
methyl 4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]benzoate;hydrochloride
CID 159596067
2-[4-[[2-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetamide
CID 90338497
2-[4-[[2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol;hydrochloride
CID 90110516
4-chloro-2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90110675

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide (CID 163659362) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide is NNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide?
The InChIKey is ITAWCHQUUQYKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-16-4-1-3-15(12-16)20-13-21(18-5-2-6-19(18)26-20)25-17-9-7-14(8-10-17)11-22(28)27-24/h1,3-4,7-10,12-13H,2,5-6,11,24H2,(H,25,26)(H,27,28).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide has a molecular weight of 392.89 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetohydrazide is sourced from PubChem (CID 163659362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).