(3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone

C14H10N2OS — CID 10729616

IUPAC(3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone
SMILESNc1c(C(=O)c2cccnc2)sc2ccccc12
InChIInChI=1S/C14H10N2OS/c15-12-10-5-1-2-6-11(10)18-14(12)13(17)9-4-3-7-16-8-9/h1-8H,15H2
InChIKeyWKDRGKHVDLLYNT-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.11
Rot. Bonds2

About (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone

(3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone (PubChem CID 10729616) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone
PubChem CID10729616
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name(3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone
SMILESNc1c(C(=O)c2cccnc2)sc2ccccc12
InChIInChI=1S/C14H10N2OS/c15-12-10-5-1-2-6-11(10)18-14(12)13(17)9-4-3-7-16-8-9/h1-8H,15H2
InChIKeyWKDRGKHVDLLYNT-UHFFFAOYSA-N
XLogP3.11
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408
Pyrrolopyridine, 15
CID 16719976
4-[(4-Phenylphenyl)amino]thieno[2,3-c]pyridine-2-carboxamide
CID 25218748
N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238
3-Amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 766178
4-(3-Phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218751
[3-Amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl](4-bromophenyl)methanone
CID 2882956
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)nicotinamide
CID 722715
[3-Amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl](phenyl)methanone
CID 794365
Phenyl-(4-p-tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-methanone
CID 9841875
4-o-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid amide
CID 9944163

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone (CID 10729616) is (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone is Nc1c(C(=O)c2cccnc2)sc2ccccc12.
What is the InChIKey of (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone?
The InChIKey is WKDRGKHVDLLYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c15-12-10-5-1-2-6-11(10)18-14(12)13(17)9-4-3-7-16-8-9/h1-8H,15H2.
What are the key properties of (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone?
(3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone has a molecular weight of 254.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzothiophen-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 10729616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).