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

C24H32N4OS — CID 40810552

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N4OS/c1-13(24-9-14-5-15(10-24)7-16(6-14)11-24)26-22(29)21-20(25)18-8-17-12-28(2)4-3-19(17)27-23(18)30-21/h8,13-16H,3-7,9-12,25H2,1-2H3,(H,26,29)/t13-,14?,15?,16?,24?/m1/s1
InChIKeyWRBGNSXIACYCAN-LYTYMJBXSA-N
MW424.61 g/mol
LogP4.20
Rot. Bonds3

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

N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 40810552) has the molecular formula C24H32N4OS and a molecular weight of 424.61 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID40810552
Molecular FormulaC24H32N4OS
Molecular Weight424.61 g/mol
Exact Mass424.23
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N4OS/c1-13(24-9-14-5-15(10-24)7-16(6-14)11-24)26-22(29)21-20(25)18-8-17-12-28(2)4-3-19(17)27-23(18)30-21/h8,13-16H,3-7,9-12,25H2,1-2H3,(H,26,29)/t13-,14?,15?,16?,24?/m1/s1
InChIKeyWRBGNSXIACYCAN-LYTYMJBXSA-N
XLogP4.20
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866585
3-amino-N-(2-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866587
3-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 11838626
3-amino-N-(4-ethoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866586
3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866580
3-amino-6-ethyl-N-propan-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 3154866
3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 155525324
N-[1-(1-adamantyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50800554
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
N-[1-(1-adamantyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4991617
6-amino-N-cycloheptyl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23997917
benzyl 3-amino-2-(phenylcarbamoyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-6-carboxylate
CID 155808556

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 40810552) is N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is C[C@@H](NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is WRBGNSXIACYCAN-LYTYMJBXSA-N. The full InChI is InChI=1S/C24H32N4OS/c1-13(24-9-14-5-15(10-24)7-16(6-14)11-24)26-22(29)21-20(25)18-8-17-12-28(2)4-3-19(17)27-23(18)30-21/h8,13-16H,3-7,9-12,25H2,1-2H3,(H,26,29)/t13-,14?,15?,16?,24?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 424.61 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 40810552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).