N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine

C18H16FN3O — CID 164949551

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine
SMILESCc1ccc2c(NCc3c(F)ccc4c3CCO4)nccc2n1
InChIInChI=1S/C18H16FN3O/c1-11-2-3-13-16(22-11)6-8-20-18(13)21-10-14-12-7-9-23-17(12)5-4-15(14)19/h2-6,8H,7,9-10H2,1H3,(H,20,21)
InChIKeyMJMODKMQYCNCLV-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.62
Rot. Bonds3

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine (PubChem CID 164949551) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine
PubChem CID164949551
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine
SMILESCc1ccc2c(NCc3c(F)ccc4c3CCO4)nccc2n1
InChIInChI=1S/C18H16FN3O/c1-11-2-3-13-16(22-11)6-8-20-18(13)21-10-14-12-7-9-23-17(12)5-4-15(14)19/h2-6,8H,7,9-10H2,1H3,(H,20,21)
InChIKeyMJMODKMQYCNCLV-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine (CID 164949551) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine is Cc1ccc2c(NCc3c(F)ccc4c3CCO4)nccc2n1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine?
The InChIKey is MJMODKMQYCNCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-2-3-13-16(22-11)6-8-20-18(13)21-10-14-12-7-9-23-17(12)5-4-15(14)19/h2-6,8H,7,9-10H2,1H3,(H,20,21).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine has a molecular weight of 309.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-1,6-naphthyridin-5-amine is sourced from PubChem (CID 164949551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).