N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C26H24N4O2S — CID 11988193

IUPACN-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CN(C)CC4)cc1
InChIInChI=1S/C26H24N4O2S/c1-15(31)16-8-10-18(11-9-16)28-25(32)24-23(27)22-21(17-6-4-3-5-7-17)19-14-30(2)13-12-20(19)29-26(22)33-24/h3-11H,12-14,27H2,1-2H3,(H,28,32)
InChIKeyQYWGHHYCWMTJPX-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.99
Rot. Bonds4

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

N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 11988193) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID11988193
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CN(C)CC4)cc1
InChIInChI=1S/C26H24N4O2S/c1-15(31)16-8-10-18(11-9-16)28-25(32)24-23(27)22-21(17-6-4-3-5-7-17)19-14-30(2)13-12-20(19)29-26(22)33-24/h3-11H,12-14,27H2,1-2H3,(H,28,32)
InChIKeyQYWGHHYCWMTJPX-UHFFFAOYSA-N
XLogP4.99
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-chlorophenyl)-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 5209201
3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 23476227
1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone
CID 11988170
3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 23476307
6-amino-N-phenyl-8-(4-propan-2-ylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 4600062
[3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone
CID 23476295
N-(4-acetylphenyl)-3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165281
6-acetyl-3-amino-N-(4-tert-butylphenyl)-4-(trifluoromethyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1301875
3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866585
1-amino-N-(4-chlorophenyl)-7-methyl-5-morpholin-4-yl-8,9-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxamide
CID 39035691
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866580

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 11988193) is N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CN(C)CC4)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is QYWGHHYCWMTJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-15(31)16-8-10-18(11-9-16)28-25(32)24-23(27)22-21(17-6-4-3-5-7-17)19-14-30(2)13-12-20(19)29-26(22)33-24/h3-11H,12-14,27H2,1-2H3,(H,28,32).
What are the key properties of N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 11988193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).