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

C19H19ClN4O2S — CID 11838535

IUPAC3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3
InChIInChI=1S/C19H19ClN4O2S/c1-24-6-5-13-10(9-24)7-12-16(21)17(27-19(12)23-13)18(25)22-14-8-11(20)3-4-15(14)26-2/h3-4,7-8H,5-6,9,21H2,1-2H3,(H,22,25)
InChIKeyGTAYWTAAKYLJOT-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.78
Rot. Bonds3

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

3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 11838535) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID11838535
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3
InChIInChI=1S/C19H19ClN4O2S/c1-24-6-5-13-10(9-24)7-12-16(21)17(27-19(12)23-13)18(25)22-14-8-11(20)3-4-15(14)26-2/h3-4,7-8H,5-6,9,21H2,1-2H3,(H,22,25)
InChIKeyGTAYWTAAKYLJOT-UHFFFAOYSA-N
XLogP3.78
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 11838535) is 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3.
What is the InChIKey of 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is GTAYWTAAKYLJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-24-6-5-13-10(9-24)7-12-16(21)17(27-19(12)23-13)18(25)22-14-8-11(20)3-4-15(14)26-2/h3-4,7-8H,5-6,9,21H2,1-2H3,(H,22,25).
What are the key properties of 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 402.91 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 11838535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).