N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide

C14H11N3OS — CID 62900750

IUPACN-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc(NC(=O)c2cc3ccccc3s2)cn1
InChIInChI=1S/C14H11N3OS/c15-13-6-5-10(8-16-13)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H2,15,16)(H,17,18)
InChIKeyVLNKPEDZRYYYGE-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.13
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide

N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 62900750) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID62900750
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc(NC(=O)c2cc3ccccc3s2)cn1
InChIInChI=1S/C14H11N3OS/c15-13-6-5-10(8-16-13)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H2,15,16)(H,17,18)
InChIKeyVLNKPEDZRYYYGE-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
N-(5-amino-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 79513540
N-(1-methylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 32605407
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
N-[4-(difluoromethylsulfonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 27990410
N-(3,4-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 42091036
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
N-(2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 51250610
ethyl 3-[[5-(1-benzothiophene-2-carbonylamino)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 66772484
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
N-[4-(cyclopropylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 51300035
ethyl 3-[[5-(1-benzothiophene-2-carbonylamino)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;hydrochloride
CID 66772483

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide (CID 62900750) is N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide is Nc1ccc(NC(=O)c2cc3ccccc3s2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is VLNKPEDZRYYYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-13-6-5-10(8-16-13)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H2,15,16)(H,17,18).
What are the key properties of N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide?
N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 62900750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).