(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

C21H21N3O3 — CID 97406098

IUPAC(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESCc1occc1C(=O)N1CCc2c(COCc3ccncc3)cncc2C1
InChIInChI=1S/C21H21N3O3/c1-15-19(5-9-27-15)21(25)24-8-4-20-17(12-24)10-23-11-18(20)14-26-13-16-2-6-22-7-3-16/h2-3,5-7,9-11H,4,8,12-14H2,1H3
InChIKeyJIEPUTKHRJPHEW-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.29
Rot. Bonds5

About (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (PubChem CID 97406098) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
PubChem CID97406098
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
SMILESCc1occc1C(=O)N1CCc2c(COCc3ccncc3)cncc2C1
InChIInChI=1S/C21H21N3O3/c1-15-19(5-9-27-15)21(25)24-8-4-20-17(12-24)10-23-11-18(20)14-26-13-16-2-6-22-7-3-16/h2-3,5-7,9-11H,4,8,12-14H2,1H3
InChIKeyJIEPUTKHRJPHEW-UHFFFAOYSA-N
XLogP3.29
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97381988
[5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-methylfuran-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155826687
[5-(pyridin-3-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 97389692
2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97463839
[4-(2-methylfuran-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991537
(2-methylfuran-3-yl)-[(8R)-8-(pyridin-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124810284
1-[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 97463707
(5-methyl-1,2-oxazol-3-yl)-[5-(2-methylpropoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463736
(5-methyl-1,2-oxazol-3-yl)-[5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97463771
3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999759
(2-methylfuran-3-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70727890
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 155878126

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (CID 97406098) is (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is Cc1occc1C(=O)N1CCc2c(COCc3ccncc3)cncc2C1.
What is the InChIKey of (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
The InChIKey is JIEPUTKHRJPHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-19(5-9-27-15)21(25)24-8-4-20-17(12-24)10-23-11-18(20)14-26-13-16-2-6-22-7-3-16/h2-3,5-7,9-11H,4,8,12-14H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?
(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is sourced from PubChem (CID 97406098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).