2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine

C22H21N3OS — CID 69059274

IUPAC2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine
SMILESCOc1nccc2nc(-c3ccc(C(C)(C)N)cc3)c(-c3cccs3)cc12
InChIInChI=1S/C22H21N3OS/c1-22(2,23)15-8-6-14(7-9-15)20-17(19-5-4-12-27-19)13-16-18(25-20)10-11-24-21(16)26-3/h4-13H,23H2,1-3H3
InChIKeyCOBPVODEQHHFSW-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.23
Rot. Bonds4

About 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine

2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine (PubChem CID 69059274) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine
PubChem CID69059274
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine
SMILESCOc1nccc2nc(-c3ccc(C(C)(C)N)cc3)c(-c3cccs3)cc12
InChIInChI=1S/C22H21N3OS/c1-22(2,23)15-8-6-14(7-9-15)20-17(19-5-4-12-27-19)13-16-18(25-20)10-11-24-21(16)26-3/h4-13H,23H2,1-3H3
InChIKeyCOBPVODEQHHFSW-UHFFFAOYSA-N
XLogP5.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine (CID 69059274) is 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine is COc1nccc2nc(-c3ccc(C(C)(C)N)cc3)c(-c3cccs3)cc12.
What is the InChIKey of 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine?
The InChIKey is COBPVODEQHHFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-22(2,23)15-8-6-14(7-9-15)20-17(19-5-4-12-27-19)13-16-18(25-20)10-11-24-21(16)26-3/h4-13H,23H2,1-3H3.
What are the key properties of 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine?
2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine has a molecular weight of 375.50 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-3-thiophen-2-yl-1,6-naphthyridin-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 69059274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).