3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C24H22N4O4S — CID 23476263

IUPAC3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCN1CCc2nc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(N)c3c(-c3ccco3)c2C1
InChIInChI=1S/C24H22N4O4S/c1-28-7-6-15-14(11-28)19(17-3-2-8-30-17)20-21(25)22(33-24(20)27-15)23(29)26-10-13-4-5-16-18(9-13)32-12-31-16/h2-5,8-9H,6-7,10-12,25H2,1H3,(H,26,29)
InChIKeyNAUFSGWMVJHVAF-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.79
Rot. Bonds4

About 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 23476263) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID23476263
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCN1CCc2nc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(N)c3c(-c3ccco3)c2C1
InChIInChI=1S/C24H22N4O4S/c1-28-7-6-15-14(11-28)19(17-3-2-8-30-17)20-21(25)22(33-24(20)27-15)23(29)26-10-13-4-5-16-18(9-13)32-12-31-16/h2-5,8-9H,6-7,10-12,25H2,1H3,(H,26,29)
InChIKeyNAUFSGWMVJHVAF-UHFFFAOYSA-N
XLogP3.79
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide with MolForge

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Related Compounds

(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 56694415
3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1042903
6-amino-N-(2-ethylphenyl)-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1314962
butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 4521595
N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 11988193
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide
CID 22520828
N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22512653
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33394339
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115695
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 29199692
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-4-(4-methoxyphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]sulfanyl]acetamide
CID 23476017
1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 91625580

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 23476263) is 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is CN1CCc2nc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(N)c3c(-c3ccco3)c2C1.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is NAUFSGWMVJHVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-28-7-6-15-14(11-28)19(17-3-2-8-30-17)20-21(25)22(33-24(20)27-15)23(29)26-10-13-4-5-16-18(9-13)32-12-31-16/h2-5,8-9H,6-7,10-12,25H2,1H3,(H,26,29).
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 23476263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).