4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine

C17H16N2 — CID 167699010

IUPAC4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine
SMILESCc1cncc(-c2ccc3c(C)cc(N)cc3c2)c1
InChIInChI=1S/C17H16N2/c1-11-5-15(10-19-9-11)13-3-4-17-12(2)6-16(18)8-14(17)7-13/h3-10H,18H2,1-2H3
InChIKeyYCDQHMBZOPNYIB-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.10
Rot. Bonds1

About 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine

4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine (PubChem CID 167699010) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine.

Molecular Properties

Compound Name4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine
PubChem CID167699010
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine
SMILESCc1cncc(-c2ccc3c(C)cc(N)cc3c2)c1
InChIInChI=1S/C17H16N2/c1-11-5-15(10-19-9-11)13-3-4-17-12(2)6-16(18)8-14(17)7-13/h3-10H,18H2,1-2H3
InChIKeyYCDQHMBZOPNYIB-UHFFFAOYSA-N
XLogP4.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine?
The IUPAC name of 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine (CID 167699010) is 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine.
What is the SMILES notation for 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine?
The canonical SMILES for 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine is Cc1cncc(-c2ccc3c(C)cc(N)cc3c2)c1.
What is the InChIKey of 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine?
The InChIKey is YCDQHMBZOPNYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-11-5-15(10-19-9-11)13-3-4-17-12(2)6-16(18)8-14(17)7-13/h3-10H,18H2,1-2H3.
What are the key properties of 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine?
4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine has a molecular weight of 248.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(5-methyl-3-pyridinyl)naphthalen-2-amine is sourced from PubChem (CID 167699010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).