3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide

C14H11N3OS — CID 71905421

IUPAC3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)Nc2ccncc2)sc2ccccc12
InChIInChI=1S/C14H11N3OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,15H2,(H,16,17,18)
InChIKeyYTUSCXDNHQYNRH-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.13
Rot. Bonds2

About 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide

3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide (PubChem CID 71905421) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
PubChem CID71905421
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)Nc2ccncc2)sc2ccccc12
InChIInChI=1S/C14H11N3OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,15H2,(H,16,17,18)
InChIKeyYTUSCXDNHQYNRH-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

3-amino-N-(3-chlorophenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289102
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
3-amino-N-(3-methylbut-2-enyl)-1-benzothiophene-2-carboxamide
CID 114157051
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115
6-amino-N-pyridin-4-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 21232440
3-amino-N-pyrimidin-5-ylthieno[3,2-b]pyridine-2-carboxamide
CID 107590363
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
3-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-benzothiophene-2-carboxamide
CID 115366277
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-amino-N-(3,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316282

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide (CID 71905421) is 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide is Nc1c(C(=O)Nc2ccncc2)sc2ccccc12.
What is the InChIKey of 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
The InChIKey is YTUSCXDNHQYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-12-10-3-1-2-4-11(10)19-13(12)14(18)17-9-5-7-16-8-6-9/h1-8H,15H2,(H,16,17,18).
What are the key properties of 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide?
3-amino-N-pyridin-4-yl-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 3-amino-N-pyridin-4-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71905421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).