6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide

C16H14N4OS — CID 706211

IUPAC6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3
InChIInChI=1S/C16H14N4OS/c17-13-12-11(8-3-2-6-19-7-8)9-4-1-5-10(9)20-16(12)22-14(13)15(18)21/h2-3,6-7H,1,4-5,17H2,(H2,18,21)
InChIKeyMJKBTJVPGNRKMX-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.53
Rot. Bonds2

About 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide

6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide (PubChem CID 706211) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide.

Molecular Properties

Compound Name6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
PubChem CID706211
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3
InChIInChI=1S/C16H14N4OS/c17-13-12-11(8-3-2-6-19-7-8)9-4-1-5-10(9)20-16(12)22-14(13)15(18)21/h2-3,6-7H,1,4-5,17H2,(H2,18,21)
InChIKeyMJKBTJVPGNRKMX-UHFFFAOYSA-N
XLogP2.53
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408
3-Amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 613528
1-(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone
CID 698121
A-794282
CID 11530404
3-amino-4-[(3S)-3-(2-ethoxyethoxymethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 162641696
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide?
The IUPAC name of 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide (CID 706211) is 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide.
What is the SMILES notation for 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide?
The canonical SMILES for 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide is NC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3.
What is the InChIKey of 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide?
The InChIKey is MJKBTJVPGNRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c17-13-12-11(8-3-2-6-19-7-8)9-4-1-5-10(9)20-16(12)22-14(13)15(18)21/h2-3,6-7H,1,4-5,17H2,(H2,18,21).
What are the key properties of 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide?
6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide is sourced from PubChem (CID 706211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).