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

C16H22N4OS — CID 1086325

IUPAC3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCN1CCc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2C1
InChIInChI=1S/C16H22N4OS/c1-16(2,3)19-14(21)13-12(17)10-7-9-8-20(4)6-5-11(9)18-15(10)22-13/h7H,5-6,8,17H2,1-4H3,(H,19,21)
InChIKeyMXAWWWLKTMPTOC-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.39
Rot. Bonds1

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

3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 1086325) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID1086325
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCN1CCc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2C1
InChIInChI=1S/C16H22N4OS/c1-16(2,3)19-14(21)13-12(17)10-7-9-8-20(4)6-5-11(9)18-15(10)22-13/h7H,5-6,8,17H2,1-4H3,(H,19,21)
InChIKeyMXAWWWLKTMPTOC-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 1086325) is 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is CN1CCc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2C1.
What is the InChIKey of 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is MXAWWWLKTMPTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-16(2,3)19-14(21)13-12(17)10-7-9-8-20(4)6-5-11(9)18-15(10)22-13/h7H,5-6,8,17H2,1-4H3,(H,19,21).
What are the key properties of 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 1086325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).