3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide

C19H14N4OS — CID 54585208

IUPAC3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)N/N=C/c2cccc3ccccc23)sc2ncccc12
InChIInChI=1S/C19H14N4OS/c20-16-15-9-4-10-21-19(15)25-17(16)18(24)23-22-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,20H2,(H,23,24)/b22-11+
InChIKeyZPRGXCVIVGKQTM-SSDVNMTOSA-N
MW346.42 g/mol
LogP3.80
Rot. Bonds3

About 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 54585208) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID54585208
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)N/N=C/c2cccc3ccccc23)sc2ncccc12
InChIInChI=1S/C19H14N4OS/c20-16-15-9-4-10-21-19(15)25-17(16)18(24)23-22-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,20H2,(H,23,24)/b22-11+
InChIKeyZPRGXCVIVGKQTM-SSDVNMTOSA-N
XLogP3.80
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 41089982
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide
CID 44516695
3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 59091698
3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
CID 113465232
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
N-[(Z)-naphthalen-1-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025460
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide (CID 54585208) is 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)N/N=C/c2cccc3ccccc23)sc2ncccc12.
What is the InChIKey of 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZPRGXCVIVGKQTM-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14N4OS/c20-16-15-9-4-10-21-19(15)25-17(16)18(24)23-22-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-11H,20H2,(H,23,24)/b22-11+.
What are the key properties of 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 54585208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).