1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine

C20H23N5O — CID 97463920

IUPAC1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine
SMILESCc1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1
InChIInChI=1S/C20H23N5O/c1-15-8-22-20(23-9-15)25-6-5-19-16(10-21-11-17(19)13-25)12-24(2)14-18-4-3-7-26-18/h3-4,7-11H,5-6,12-14H2,1-2H3
InChIKeyPDUPOYYTAYTDER-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.97
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine

1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine (PubChem CID 97463920) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine
PubChem CID97463920
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine
SMILESCc1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1
InChIInChI=1S/C20H23N5O/c1-15-8-22-20(23-9-15)25-6-5-19-16(10-21-11-17(19)13-25)12-24(2)14-18-4-3-7-26-18/h3-4,7-11H,5-6,12-14H2,1-2H3
InChIKeyPDUPOYYTAYTDER-UHFFFAOYSA-N
XLogP2.97
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine (CID 97463920) is 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine is Cc1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine?
The InChIKey is PDUPOYYTAYTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-8-22-20(23-9-15)25-6-5-19-16(10-21-11-17(19)13-25)12-24(2)14-18-4-3-7-26-18/h3-4,7-11H,5-6,12-14H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine?
1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine has a molecular weight of 349.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine is sourced from PubChem (CID 97463920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).