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

C20H22N4OS — CID 20866585

IUPAC3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1
InChIInChI=1S/C20H22N4OS/c1-3-12-4-6-14(7-5-12)22-19(25)18-17(21)15-10-13-11-24(2)9-8-16(13)23-20(15)26-18/h4-7,10H,3,8-9,11,21H2,1-2H3,(H,22,25)
InChIKeyJNEOHFUUKNATRV-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.68
Rot. Bonds3

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

3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 20866585) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID20866585
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1
InChIInChI=1S/C20H22N4OS/c1-3-12-4-6-14(7-5-12)22-19(25)18-17(21)15-10-13-11-24(2)9-8-16(13)23-20(15)26-18/h4-7,10H,3,8-9,11,21H2,1-2H3,(H,22,25)
InChIKeyJNEOHFUUKNATRV-UHFFFAOYSA-N
XLogP3.68
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 20866585) is 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is CCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1.
What is the InChIKey of 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is JNEOHFUUKNATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-12-4-6-14(7-5-12)22-19(25)18-17(21)15-10-13-11-24(2)9-8-16(13)23-20(15)26-18/h4-7,10H,3,8-9,11,21H2,1-2H3,(H,22,25).
What are the key properties of 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 20866585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).