(3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide

C15H15N3OS — CID 69046855

IUPAC(3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccncc1)SC[C@@H]2N
InChIInChI=1S/C15H15N3OS/c1-9-6-12-13(16)8-20-14(12)7-11(9)15(19)18-10-2-4-17-5-3-10/h2-7,13H,8,16H2,1H3,(H,17,18,19)/t13-/m0/s1
InChIKeyZCSSWYZEGTUTIY-ZDUSSCGKSA-N
MW285.37 g/mol
LogP2.75
Rot. Bonds2

About (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide

(3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide (PubChem CID 69046855) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
PubChem CID69046855
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name(3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccncc1)SC[C@@H]2N
InChIInChI=1S/C15H15N3OS/c1-9-6-12-13(16)8-20-14(12)7-11(9)15(19)18-10-2-4-17-5-3-10/h2-7,13H,8,16H2,1H3,(H,17,18,19)/t13-/m0/s1
InChIKeyZCSSWYZEGTUTIY-ZDUSSCGKSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-amino-6-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3,4-dihydro-2H-thiochromene-7-carboxamide
CID 69046895
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
CID 69044545
5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 11323111
(5R)-5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 69046909
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938
(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide
CID 57429972
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
2-amino-N-pyridin-4-ylbenzamide
CID 5080262

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide?
The IUPAC name of (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide (CID 69046855) is (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide.
What is the SMILES notation for (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide?
The canonical SMILES for (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide is Cc1cc2c(cc1C(=O)Nc1ccncc1)SC[C@@H]2N.
What is the InChIKey of (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide?
The InChIKey is ZCSSWYZEGTUTIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-6-12-13(16)8-20-14(12)7-11(9)15(19)18-10-2-4-17-5-3-10/h2-7,13H,8,16H2,1H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide?
(3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-methyl-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 69046855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).