3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide

C19H18N4O2S — CID 53320305

IUPAC3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C19H18N4O2S/c1-23(2)19(24)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-25/h4-5,7-10,21,25H,3,6H2,1-2H3/b22-15-
InChIKeyKQAVXLJLCOYDRL-JCMHNJIXSA-N
MW366.45 g/mol
LogP3.87
Rot. Bonds3

About 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide

3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 53320305) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID53320305
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O
InChIInChI=1S/C19H18N4O2S/c1-23(2)19(24)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-25/h4-5,7-10,21,25H,3,6H2,1-2H3/b22-15-
InChIKeyKQAVXLJLCOYDRL-JCMHNJIXSA-N
XLogP3.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide (CID 53320305) is 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O.
What is the InChIKey of 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is KQAVXLJLCOYDRL-JCMHNJIXSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-23(2)19(24)18-17(14-7-8-20-10-16(14)26-18)21-12-4-5-13-11(9-12)3-6-15(13)22-25/h4-5,7-10,21,25H,3,6H2,1-2H3/b22-15-.
What are the key properties of 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 53320305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).