N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C17H25N3O2S — CID 97062017

IUPACN-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)N1CC[C@H]2[C@@H](CCCN2C)C1)C(=O)c1cccs1
InChIInChI=1S/C17H25N3O2S/c1-18-8-3-5-13-11-20(9-7-14(13)18)16(21)12-19(2)17(22)15-6-4-10-23-15/h4,6,10,13-14H,3,5,7-9,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyMFVGPWFCKRXIBA-KBPBESRZSA-N
MW335.47 g/mol
LogP1.76
Rot. Bonds3

About N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 97062017) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID97062017
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)N1CC[C@H]2[C@@H](CCCN2C)C1)C(=O)c1cccs1
InChIInChI=1S/C17H25N3O2S/c1-18-8-3-5-13-11-20(9-7-14(13)18)16(21)12-19(2)17(22)15-6-4-10-23-15/h4,6,10,13-14H,3,5,7-9,11-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyMFVGPWFCKRXIBA-KBPBESRZSA-N
XLogP1.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
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CID 119594587
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-thiophen-2-ylethanone
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N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119623355
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 120818482
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119623354
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61410795
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CID 119136912
5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122118795
N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide
CID 62898126
N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
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1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 97062017) is N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)N1CC[C@H]2[C@@H](CCCN2C)C1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is MFVGPWFCKRXIBA-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-18-8-3-5-13-11-20(9-7-14(13)18)16(21)12-19(2)17(22)15-6-4-10-23-15/h4,6,10,13-14H,3,5,7-9,11-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 97062017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).