N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide

C17H19N5O2S — CID 42173480

IUPACN-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(CCCSc1ccc(NC(=O)C2CC2)nn1)Nc1cccnc1
InChIInChI=1S/C17H19N5O2S/c23-15(19-13-3-1-9-18-11-13)4-2-10-25-16-8-7-14(21-22-16)20-17(24)12-5-6-12/h1,3,7-9,11-12H,2,4-6,10H2,(H,19,23)(H,20,21,24)
InChIKeyQPQMZCOHBDZMTF-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.73
Rot. Bonds8

About N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide

N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 42173480) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
PubChem CID42173480
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
SMILESO=C(CCCSc1ccc(NC(=O)C2CC2)nn1)Nc1cccnc1
InChIInChI=1S/C17H19N5O2S/c23-15(19-13-3-1-9-18-11-13)4-2-10-25-16-8-7-14(21-22-16)20-17(24)12-5-6-12/h1,3,7-9,11-12H,2,4-6,10H2,(H,19,23)(H,20,21,24)
InChIKeyQPQMZCOHBDZMTF-UHFFFAOYSA-N
XLogP2.73
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide
CID 56761742
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
CID 13203384
N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42138506
N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 122289299
4-(but-3-enylamino)-N-pyridin-3-ylcyclohexane-1-carboxamide dichloride
CID 10405208
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113042141
ethyl (3S)-1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]sulfanylbutanoyl]piperidine-3-carboxylate
CID 42173441
N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 43072776

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide (CID 42173480) is N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide is O=C(CCCSc1ccc(NC(=O)C2CC2)nn1)Nc1cccnc1.
What is the InChIKey of N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is QPQMZCOHBDZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-15(19-13-3-1-9-18-11-13)4-2-10-25-16-8-7-14(21-22-16)20-17(24)12-5-6-12/h1,3,7-9,11-12H,2,4-6,10H2,(H,19,23)(H,20,21,24).
What are the key properties of N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide?
N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42173480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).