N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide

C16H17N3OS — CID 7823065

IUPACN-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc2c(s1)CCCCC2)c1ccncc1
InChIInChI=1S/C16H17N3OS/c20-16(12-6-8-17-9-7-12)19-18-11-14-10-13-4-2-1-3-5-15(13)21-14/h6-11H,1-5H2,(H,19,20)/b18-11+
InChIKeyLLXVKGPZQNYFFF-WOJGMQOQSA-N
MW299.40 g/mol
LogP3.18
Rot. Bonds3

About N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide

N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide (PubChem CID 7823065) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide
PubChem CID7823065
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc2c(s1)CCCCC2)c1ccncc1
InChIInChI=1S/C16H17N3OS/c20-16(12-6-8-17-9-7-12)19-18-11-14-10-13-4-2-1-3-5-15(13)21-14/h6-11H,1-5H2,(H,19,20)/b18-11+
InChIKeyLLXVKGPZQNYFFF-WOJGMQOQSA-N
XLogP3.18
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-[(Z)-benzylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462390
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 135684098
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide
CID 126068365
N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
CID 6902849
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254705
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
CID 50854256

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide (CID 7823065) is N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cc2c(s1)CCCCC2)c1ccncc1.
What is the InChIKey of N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide?
The InChIKey is LLXVKGPZQNYFFF-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-16(12-6-8-17-9-7-12)19-18-11-14-10-13-4-2-1-3-5-15(13)21-14/h6-11H,1-5H2,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide?
N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylmethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 7823065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).