N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine

C18H15N3O2 — CID 138677813

IUPACN-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1Nc1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C18H15N3O2/c22-21(23)18-17(6-3-11-19-18)20-16-10-9-13(12-7-8-12)14-4-1-2-5-15(14)16/h1-6,9-12,20H,7-8H2
InChIKeyBQLPQYJFWSGISM-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.76
Rot. Bonds4

About N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine

N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine (PubChem CID 138677813) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine
PubChem CID138677813
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ncccc1Nc1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C18H15N3O2/c22-21(23)18-17(6-3-11-19-18)20-16-10-9-13(12-7-8-12)14-4-1-2-5-15(14)16/h1-6,9-12,20H,7-8H2
InChIKeyBQLPQYJFWSGISM-UHFFFAOYSA-N
XLogP4.76
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine?
The IUPAC name of N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine (CID 138677813) is N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine.
What is the SMILES notation for N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine?
The canonical SMILES for N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine is O=[N+]([O-])c1ncccc1Nc1ccc(C2CC2)c2ccccc12.
What is the InChIKey of N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine?
The InChIKey is BQLPQYJFWSGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-21(23)18-17(6-3-11-19-18)20-16-10-9-13(12-7-8-12)14-4-1-2-5-15(14)16/h1-6,9-12,20H,7-8H2.
What are the key properties of N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine?
N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine has a molecular weight of 305.34 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropylnaphthalen-1-yl)-2-nitropyridin-3-amine is sourced from PubChem (CID 138677813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).