3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C19H22N4OS2 — CID 1089897

IUPAC3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCC(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3
InChIInChI=1S/C19H22N4OS2/c1-10(2)21-18(24)17-16(20)15-14(13-5-4-8-25-13)11-9-23(3)7-6-12(11)22-19(15)26-17/h4-5,8,10H,6-7,9,20H2,1-3H3,(H,21,24)
InChIKeyYAOGYAYDKMECJV-UHFFFAOYSA-N
MW386.55 g/mol
LogP3.73
Rot. Bonds3

About 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 1089897) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID1089897
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC Name3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCC(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3
InChIInChI=1S/C19H22N4OS2/c1-10(2)21-18(24)17-16(20)15-14(13-5-4-8-25-13)11-9-23(3)7-6-12(11)22-19(15)26-17/h4-5,8,10H,6-7,9,20H2,1-3H3,(H,21,24)
InChIKeyYAOGYAYDKMECJV-UHFFFAOYSA-N
XLogP3.73
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 1089897) is 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is CC(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3.
What is the InChIKey of 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is YAOGYAYDKMECJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-10(2)21-18(24)17-16(20)15-14(13-5-4-8-25-13)11-9-23(3)7-6-12(11)22-19(15)26-17/h4-5,8,10H,6-7,9,20H2,1-3H3,(H,21,24).
What are the key properties of 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 386.55 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-propan-2-yl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 1089897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).