6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine

C17H18ClN3O3 — CID 71523735

IUPAC6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
SMILESCOc1ccc(N(c2nc(Cl)ccc2[N+](=O)[O-])C2CCCC2)cc1
InChIInChI=1S/C17H18ClN3O3/c1-24-14-8-6-13(7-9-14)20(12-4-2-3-5-12)17-15(21(22)23)10-11-16(18)19-17/h6-12H,2-5H2,1H3
InChIKeyOJDMRDKGDWTZEL-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.73
Rot. Bonds5

About 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine

6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine (PubChem CID 71523735) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
PubChem CID71523735
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine
SMILESCOc1ccc(N(c2nc(Cl)ccc2[N+](=O)[O-])C2CCCC2)cc1
InChIInChI=1S/C17H18ClN3O3/c1-24-14-8-6-13(7-9-14)20(12-4-2-3-5-12)17-15(21(22)23)10-11-16(18)19-17/h6-12H,2-5H2,1H3
InChIKeyOJDMRDKGDWTZEL-UHFFFAOYSA-N
XLogP4.73
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine (CID 71523735) is 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine is COc1ccc(N(c2nc(Cl)ccc2[N+](=O)[O-])C2CCCC2)cc1.
What is the InChIKey of 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine?
The InChIKey is OJDMRDKGDWTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-24-14-8-6-13(7-9-14)20(12-4-2-3-5-12)17-15(21(22)23)10-11-16(18)19-17/h6-12H,2-5H2,1H3.
What are the key properties of 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine?
6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine has a molecular weight of 347.80 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-N-(4-methoxyphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 71523735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).