N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C15H15N3O2 — CID 102773148

IUPACN-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCc1c(NC2CCc3cccnc32)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O2/c1-10-12(5-2-6-14(10)18(19)20)17-13-8-7-11-4-3-9-16-15(11)13/h2-6,9,13,17H,7-8H2,1H3
InChIKeyYVBARSJDZGUJMV-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.40
Rot. Bonds3

About N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102773148) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102773148
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCc1c(NC2CCc3cccnc32)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O2/c1-10-12(5-2-6-14(10)18(19)20)17-13-8-7-11-4-3-9-16-15(11)13/h2-6,9,13,17H,7-8H2,1H3
InChIKeyYVBARSJDZGUJMV-UHFFFAOYSA-N
XLogP3.40
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.40
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'}

Analyze N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methyl-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774228
N-(2-bromo-4-methyl-5-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774247
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
1-N-methyl-4-N-(2-methyl-3-nitrophenyl)cyclohexane-1,4-diamine
CID 79110564
N-(2-bromo-4-nitrophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078552
N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 61016357
N-(2-methyl-3-nitrophenyl)oxepan-4-amine
CID 65081434
N-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)phenyl]acetamide
CID 102772462
2-bromo-N-(2-methyl-3-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82012325
N-(2-methyl-3-nitrophenyl)-1,1-dioxothian-3-amine
CID 63909898
N-(2-methyl-3-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 63077105

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102773148) is N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is Cc1c(NC2CCc3cccnc32)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is YVBARSJDZGUJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-12(5-2-6-14(10)18(19)20)17-13-8-7-11-4-3-9-16-15(11)13/h2-6,9,13,17H,7-8H2,1H3.
What are the key properties of N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 269.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102773148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).