4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline

C15H17N3 — CID 86695873

IUPAC4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline
SMILESCc1cc(N)ccc1N1CCc2ccncc2C1
InChIInChI=1S/C15H17N3/c1-11-8-14(16)2-3-15(11)18-7-5-12-4-6-17-9-13(12)10-18/h2-4,6,8-9H,5,7,10,16H2,1H3
InChIKeyRCFGDMHNKATZBL-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.53
Rot. Bonds1

About 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline

4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline (PubChem CID 86695873) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline
PubChem CID86695873
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline
SMILESCc1cc(N)ccc1N1CCc2ccncc2C1
InChIInChI=1S/C15H17N3/c1-11-8-14(16)2-3-15(11)18-7-5-12-4-6-17-9-13(12)10-18/h2-4,6,8-9H,5,7,10,16H2,1H3
InChIKeyRCFGDMHNKATZBL-UHFFFAOYSA-N
XLogP2.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline?
The IUPAC name of 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline (CID 86695873) is 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline.
What is the SMILES notation for 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline?
The canonical SMILES for 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline is Cc1cc(N)ccc1N1CCc2ccncc2C1.
What is the InChIKey of 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline?
The InChIKey is RCFGDMHNKATZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-8-14(16)2-3-15(11)18-7-5-12-4-6-17-9-13(12)10-18/h2-4,6,8-9H,5,7,10,16H2,1H3.
What are the key properties of 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline?
4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline has a molecular weight of 239.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylaniline is sourced from PubChem (CID 86695873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).