N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide

C15H15N3OS — CID 79213070

IUPACN-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCN(C(=O)C1CSc2ccccc21)c1ccncc1N
InChIInChI=1S/C15H15N3OS/c1-18(13-6-7-17-8-12(13)16)15(19)11-9-20-14-5-3-2-4-10(11)14/h2-8,11H,9,16H2,1H3
InChIKeyXIMAKEVCJYMXEQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.52
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79213070) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79213070
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCN(C(=O)C1CSc2ccccc21)c1ccncc1N
InChIInChI=1S/C15H15N3OS/c1-18(13-6-7-17-8-12(13)16)15(19)11-9-20-14-5-3-2-4-10(11)14/h2-8,11H,9,16H2,1H3
InChIKeyXIMAKEVCJYMXEQ-UHFFFAOYSA-N
XLogP2.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213509
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892255
N-(3-amino-4-pyridinyl)-N-methylcycloheptanecarboxamide
CID 62585945
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 61360184
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119584220
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
N,N-bis(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214145
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
CID 105108004

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79213070) is N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide is CN(C(=O)C1CSc2ccccc21)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is XIMAKEVCJYMXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18(13-6-7-17-8-12(13)16)15(19)11-9-20-14-5-3-2-4-10(11)14/h2-8,11H,9,16H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79213070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).