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

C19H20N4OS — CID 20866592

IUPAC3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c1
InChIInChI=1S/C19H20N4OS/c1-11-4-3-5-13(8-11)21-18(24)17-16(20)14-9-12-10-23(2)7-6-15(12)22-19(14)25-17/h3-5,8-9H,6-7,10,20H2,1-2H3,(H,21,24)
InChIKeyOEEPITUYTJNFQE-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.43
Rot. Bonds2

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

3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 20866592) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID20866592
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c1
InChIInChI=1S/C19H20N4OS/c1-11-4-3-5-13(8-11)21-18(24)17-16(20)14-9-12-10-23(2)7-6-15(12)22-19(14)25-17/h3-5,8-9H,6-7,10,20H2,1-2H3,(H,21,24)
InChIKeyOEEPITUYTJNFQE-UHFFFAOYSA-N
XLogP3.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 20866592) is 3-amino-6-methyl-N-(3-methylphenyl)-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)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c1.
What is the InChIKey of 3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is OEEPITUYTJNFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-11-4-3-5-13(8-11)21-18(24)17-16(20)14-9-12-10-23(2)7-6-15(12)22-19(14)25-17/h3-5,8-9H,6-7,10,20H2,1-2H3,(H,21,24).
What are the key properties of 3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 20866592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).