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

C23H22N4OS2 — CID 3815983

IUPAC3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)c1
InChIInChI=1S/C23H22N4OS2/c1-13-5-3-6-14(11-13)25-22(28)21-20(24)19-18(17-7-4-10-29-17)15-12-27(2)9-8-16(15)26-23(19)30-21/h3-7,10-11H,8-9,12,24H2,1-2H3,(H,25,28)
InChIKeyNOVBDZFIWUWQPR-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.16
Rot. Bonds3

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

3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 3815983) has the molecular formula C23H22N4OS2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID3815983
Molecular FormulaC23H22N4OS2
Molecular Weight434.59 g/mol
Exact Mass434.12
IUPAC Name3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)c1
InChIInChI=1S/C23H22N4OS2/c1-13-5-3-6-14(11-13)25-22(28)21-20(24)19-18(17-7-4-10-29-17)15-12-27(2)9-8-16(15)26-23(19)30-21/h3-7,10-11H,8-9,12,24H2,1-2H3,(H,25,28)
InChIKeyNOVBDZFIWUWQPR-UHFFFAOYSA-N
XLogP5.16
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 3815983) is 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)c1.
What is the InChIKey of 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is NOVBDZFIWUWQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c1-13-5-3-6-14(11-13)25-22(28)21-20(24)19-18(17-7-4-10-29-17)15-12-27(2)9-8-16(15)26-23(19)30-21/h3-7,10-11H,8-9,12,24H2,1-2H3,(H,25,28).
What are the key properties of 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 434.59 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-(3-methylphenyl)-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 3815983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).