5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C19H25N5O4 — CID 45229255

IUPAC5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCc1ncc2c(c1-c1noc(C3COCCO3)n1)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C19H25N5O4/c1-11(2)21-19(25)24-5-4-14-13(9-24)8-20-12(3)16(14)17-22-18(28-23-17)15-10-26-6-7-27-15/h8,11,15H,4-7,9-10H2,1-3H3,(H,21,25)
InChIKeyVSEZXZJGYRTSLS-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.00
Rot. Bonds3

About 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 45229255) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
PubChem CID45229255
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
SMILESCc1ncc2c(c1-c1noc(C3COCCO3)n1)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C19H25N5O4/c1-11(2)21-19(25)24-5-4-14-13(9-24)8-20-12(3)16(14)17-22-18(28-23-17)15-10-26-6-7-27-15/h8,11,15H,4-7,9-10H2,1-3H3,(H,21,25)
InChIKeyVSEZXZJGYRTSLS-UHFFFAOYSA-N
XLogP2.00
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide with MolForge

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Related Compounds

6-methyl-5-[5-[(2S)-oxan-2-yl]-1,2,4-oxadiazol-3-yl]-N-propyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 31134789
6-methyl-5-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-N-propyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 31005319
[6-methyl-5-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-phenylmethanone
CID 29086016
6-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]-1H-pyridin-2-one
CID 29084262
[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
CID 29170270
cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 31162028
1-[5-[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]thiophen-2-yl]ethanone
CID 28739588
[6-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 29152092
[6-methyl-5-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,2-oxazol-3-yl)methanone
CID 135889475
(2S)-2-amino-1-[6-methyl-5-[5-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]propan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 154886057
1-[6-methyl-5-[5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]but-3-en-1-one
CID 29022242
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 56853671

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The IUPAC name of 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 45229255) is 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The canonical SMILES for 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is Cc1ncc2c(c1-c1noc(C3COCCO3)n1)CCN(C(=O)NC(C)C)C2.
What is the InChIKey of 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
The InChIKey is VSEZXZJGYRTSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-11(2)21-19(25)24-5-4-14-13(9-24)8-20-12(3)16(14)17-22-18(28-23-17)15-10-26-6-7-27-15/h8,11,15H,4-7,9-10H2,1-3H3,(H,21,25).
What are the key properties of 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?
5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-N-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 45229255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).