6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine

C13H18ClN3O2 — CID 114101548

IUPAC6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
SMILESCC1CCCC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-9-3-2-4-10(6-5-9)15-13-8-11(17(18)19)7-12(14)16-13/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyZZPNQRJPCIFYTI-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.02
Rot. Bonds3

About 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine

6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine (PubChem CID 114101548) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
PubChem CID114101548
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
SMILESCC1CCCC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O2/c1-9-3-2-4-10(6-5-9)15-13-8-11(17(18)19)7-12(14)16-13/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyZZPNQRJPCIFYTI-UHFFFAOYSA-N
XLogP4.02
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-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

6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine
CID 114071424
6-chloro-N-(3-ethylsulfanylcyclopentyl)-4-nitropyridin-2-amine
CID 103888843
6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-4-nitropyridin-2-amine
CID 104695824
6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
N-(4-chloro-2-nitrophenyl)-4-methylcycloheptan-1-amine
CID 65081347
2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 103888341
6-chloro-N-(2,2-diethyloxan-4-yl)-4-nitropyridin-2-amine
CID 103889061
2-chloro-N-(4-methylcyclohexyl)-4-nitroaniline
CID 43081290
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104952878
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
4-methyl-N-(3-methyl-4-nitrophenyl)cycloheptan-1-amine
CID 65080487
2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde
CID 115027180

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine (CID 114101548) is 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine is CC1CCCC(Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine?
The InChIKey is ZZPNQRJPCIFYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-3-2-4-10(6-5-9)15-13-8-11(17(18)19)7-12(14)16-13/h7-10H,2-6H2,1H3,(H,15,16).
What are the key properties of 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine?
6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 114101548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).