3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C20H22N4OS — CID 20866580

IUPAC3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCC(C)N1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2C1
InChIInChI=1S/C20H22N4OS/c1-12(2)24-9-8-16-13(11-24)10-15-17(21)18(26-20(15)23-16)19(25)22-14-6-4-3-5-7-14/h3-7,10,12H,8-9,11,21H2,1-2H3,(H,22,25)
InChIKeyIGTRFINAXOPXAD-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.90
Rot. Bonds3

About 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 20866580) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID20866580
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCC(C)N1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2C1
InChIInChI=1S/C20H22N4OS/c1-12(2)24-9-8-16-13(11-24)10-15-17(21)18(26-20(15)23-16)19(25)22-14-6-4-3-5-7-14/h3-7,10,12H,8-9,11,21H2,1-2H3,(H,22,25)
InChIKeyIGTRFINAXOPXAD-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 20866580) is 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is CC(C)N1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2C1.
What is the InChIKey of 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is IGTRFINAXOPXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-12(2)24-9-8-16-13(11-24)10-15-17(21)18(26-20(15)23-16)19(25)22-14-6-4-3-5-7-14/h3-7,10,12H,8-9,11,21H2,1-2H3,(H,22,25).
What are the key properties of 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 20866580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).