N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide

C16H16N6OS — CID 122289061

IUPACN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccsc1
InChIInChI=1S/C16H16N6OS/c23-16(12-5-10-24-11-12)19-9-8-18-14-1-2-15(22-21-14)20-13-3-6-17-7-4-13/h1-7,10-11H,8-9H2,(H,18,21)(H,19,23)(H,17,20,22)
InChIKeyFRVCGZRPWVXWLG-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.52
Rot. Bonds7

About N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide

N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide (PubChem CID 122289061) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
PubChem CID122289061
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccsc1
InChIInChI=1S/C16H16N6OS/c23-16(12-5-10-24-11-12)19-9-8-18-14-1-2-15(22-21-14)20-13-3-6-17-7-4-13/h1-7,10-11H,8-9H2,(H,18,21)(H,19,23)(H,17,20,22)
InChIKeyFRVCGZRPWVXWLG-UHFFFAOYSA-N
XLogP2.52
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700446
4-iodo-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121065155
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289215
4-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700102
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42111935
3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56699027
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-fluoro-4-methoxy-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289154
2-(4-fluorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065151
2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065101
2-chloro-6-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700402
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide (CID 122289061) is N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide is O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccsc1.
What is the InChIKey of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide?
The InChIKey is FRVCGZRPWVXWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(12-5-10-24-11-12)19-9-8-18-14-1-2-15(22-21-14)20-13-3-6-17-7-4-13/h1-7,10-11H,8-9H2,(H,18,21)(H,19,23)(H,17,20,22).
What are the key properties of N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide?
N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 122289061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).