N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide

C23H25N3O5 — CID 45187284

IUPACN-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
SMILESCc1ncc2c(c1CNC(=O)C1CCCO1)CCN(C(=O)c1ccc3c(c1)OCO3)C2
InChIInChI=1S/C23H25N3O5/c1-14-18(11-25-22(27)20-3-2-8-29-20)17-6-7-26(12-16(17)10-24-14)23(28)15-4-5-19-21(9-15)31-13-30-19/h4-5,9-10,20H,2-3,6-8,11-13H2,1H3,(H,25,27)
InChIKeyWFWZVGLIGALHAT-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.11
Rot. Bonds4

About N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide

N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 45187284) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID45187284
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
SMILESCc1ncc2c(c1CNC(=O)C1CCCO1)CCN(C(=O)c1ccc3c(c1)OCO3)C2
InChIInChI=1S/C23H25N3O5/c1-14-18(11-25-22(27)20-3-2-8-29-20)17-6-7-26(12-16(17)10-24-14)23(28)15-4-5-19-21(9-15)31-13-30-19/h4-5,9-10,20H,2-3,6-8,11-13H2,1H3,(H,25,27)
InChIKeyWFWZVGLIGALHAT-UHFFFAOYSA-N
XLogP2.11
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42341163
N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
CID 42321195
N-[[7-[2-(2-chlorophenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42168152
N-[[3-methyl-7-[(2R)-2-phenoxypropanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42171867
N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 26351546
N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42380963
N-[[7-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 56858282
N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42479714
5-acetyl-N-[[7-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
CID 42379874
N-[[7-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 45166479
(2R)-N-[2-(3-fluoro-4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 97274157
N-[[3-methyl-7-[(4-pyrrolidin-1-ylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxane-4-carboxamide
CID 126467048

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide (CID 45187284) is N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide is Cc1ncc2c(c1CNC(=O)C1CCCO1)CCN(C(=O)c1ccc3c(c1)OCO3)C2.
What is the InChIKey of N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is WFWZVGLIGALHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-14-18(11-25-22(27)20-3-2-8-29-20)17-6-7-26(12-16(17)10-24-14)23(28)15-4-5-19-21(9-15)31-13-30-19/h4-5,9-10,20H,2-3,6-8,11-13H2,1H3,(H,25,27).
What are the key properties of N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide?
N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 45187284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).