[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride

C24H24ClN3 — CID 173038267

IUPAC[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
SMILESCCCc1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12.Cl
InChIInChI=1S/C24H23N3.ClH/c1-2-6-22-21-15-20(18-7-4-3-5-8-18)24(27-23(21)13-14-26-22)19-11-9-17(16-25)10-12-19;/h3-5,7-15H,2,6,16,25H2,1H3;1H
InChIKeyIBBWPYUWWPACJA-UHFFFAOYSA-N
MW389.93 g/mol
LogP5.80
Rot. Bonds5

About [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride

[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride (PubChem CID 173038267) has the molecular formula C24H24ClN3 and a molecular weight of 389.93 g/mol. Its IUPAC name is [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
PubChem CID173038267
Molecular FormulaC24H24ClN3
Molecular Weight389.93 g/mol
Exact Mass389.17
IUPAC Name[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
SMILESCCCc1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12.Cl
InChIInChI=1S/C24H23N3.ClH/c1-2-6-22-21-15-20(18-7-4-3-5-8-18)24(27-23(21)13-14-26-22)19-11-9-17(16-25)10-12-19;/h3-5,7-15H,2,6,16,25H2,1H3;1H
InChIKeyIBBWPYUWWPACJA-UHFFFAOYSA-N
XLogP5.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride (CID 173038267) is [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride is CCCc1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12.Cl.
What is the InChIKey of [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride?
The InChIKey is IBBWPYUWWPACJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3.ClH/c1-2-6-22-21-15-20(18-7-4-3-5-8-18)24(27-23(21)13-14-26-22)19-11-9-17(16-25)10-12-19;/h3-5,7-15H,2,6,16,25H2,1H3;1H.
What are the key properties of [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride?
[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 173038267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).