4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline

C20H17N3O — CID 87419359

IUPAC4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline
SMILESO=Nc1cc(C2CC2)ccc1Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C20H17N3O/c24-23-20-12-16(14-6-7-14)8-9-19(20)22-18-5-1-3-15(11-18)17-4-2-10-21-13-17/h1-5,8-14,22H,6-7H2
InChIKeyRRSZNEZLYJNACH-UHFFFAOYSA-N
MW315.38 g/mol
LogP5.77
Rot. Bonds5

About 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline

4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline (PubChem CID 87419359) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline.

Molecular Properties

Compound Name4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline
PubChem CID87419359
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline
SMILESO=Nc1cc(C2CC2)ccc1Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C20H17N3O/c24-23-20-12-16(14-6-7-14)8-9-19(20)22-18-5-1-3-15(11-18)17-4-2-10-21-13-17/h1-5,8-14,22H,6-7H2
InChIKeyRRSZNEZLYJNACH-UHFFFAOYSA-N
XLogP5.77
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.38
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline?
The IUPAC name of 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline (CID 87419359) is 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline.
What is the SMILES notation for 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline?
The canonical SMILES for 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline is O=Nc1cc(C2CC2)ccc1Nc1cccc(-c2cccnc2)c1.
What is the InChIKey of 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline?
The InChIKey is RRSZNEZLYJNACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-23-20-12-16(14-6-7-14)8-9-19(20)22-18-5-1-3-15(11-18)17-4-2-10-21-13-17/h1-5,8-14,22H,6-7H2.
What are the key properties of 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline?
4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline has a molecular weight of 315.38 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-nitroso-N-(3-pyridin-3-ylphenyl)aniline is sourced from PubChem (CID 87419359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).