4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine

C19H17N5O — CID 118168496

IUPAC4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine
SMILESCn1ccc(Nc2cc(Oc3ccc(N)c4ccccc34)ccn2)n1
InChIInChI=1S/C19H17N5O/c1-24-11-9-18(23-24)22-19-12-13(8-10-21-19)25-17-7-6-16(20)14-4-2-3-5-15(14)17/h2-12H,20H2,1H3,(H,21,22,23)
InChIKeyCAYHZQIUYVESJG-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.09
Rot. Bonds4

About 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine

4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 118168496) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID118168496
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine
SMILESCn1ccc(Nc2cc(Oc3ccc(N)c4ccccc34)ccn2)n1
InChIInChI=1S/C19H17N5O/c1-24-11-9-18(23-24)22-19-12-13(8-10-21-19)25-17-7-6-16(20)14-4-2-3-5-15(14)17/h2-12H,20H2,1H3,(H,21,22,23)
InChIKeyCAYHZQIUYVESJG-UHFFFAOYSA-N
XLogP4.09
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine (CID 118168496) is 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine is Cn1ccc(Nc2cc(Oc3ccc(N)c4ccccc34)ccn2)n1.
What is the InChIKey of 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is CAYHZQIUYVESJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-24-11-9-18(23-24)22-19-12-13(8-10-21-19)25-17-7-6-16(20)14-4-2-3-5-15(14)17/h2-12H,20H2,1H3,(H,21,22,23).
What are the key properties of 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine?
4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminonaphthalen-1-yl)oxy-N-(1-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 118168496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).