N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C15H14ClN3O2 — CID 102774228

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC1CCc2cccnc21
InChIInChI=1S/C15H14ClN3O2/c1-9-7-14(19(20)21)11(16)8-13(9)18-12-5-4-10-3-2-6-17-15(10)12/h2-3,6-8,12,18H,4-5H2,1H3
InChIKeyJPSVSWFQGNXTEZ-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.05
Rot. Bonds3

About N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102774228) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102774228
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC1CCc2cccnc21
InChIInChI=1S/C15H14ClN3O2/c1-9-7-14(19(20)21)11(16)8-13(9)18-12-5-4-10-3-2-6-17-15(10)12/h2-3,6-8,12,18H,4-5H2,1H3
InChIKeyJPSVSWFQGNXTEZ-UHFFFAOYSA-N
XLogP4.05
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146
N-(2-bromo-4-methyl-5-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774247
N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773148
N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773966
N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 104667860
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N,3-dimethylbenzamide
CID 102773287
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772891
3-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 107519314
5-chloro-N-(4,4-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555935
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102774228) is N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is Cc1cc([N+](=O)[O-])c(Cl)cc1NC1CCc2cccnc21.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is JPSVSWFQGNXTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-7-14(19(20)21)11(16)8-13(9)18-12-5-4-10-3-2-6-17-15(10)12/h2-3,6-8,12,18H,4-5H2,1H3.
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 303.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102774228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).