3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide

C17H18N4O — CID 139010732

IUPAC3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESO=C(Nc1cccnn1)N1CC2(CCC2)C1c1ccccc1
InChIInChI=1S/C17H18N4O/c22-16(19-14-8-4-11-18-20-14)21-12-17(9-5-10-17)15(21)13-6-2-1-3-7-13/h1-4,6-8,11,15H,5,9-10,12H2,(H,19,20,22)
InChIKeyDFDANSQDEJBWAT-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.24
Rot. Bonds2

About 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide

3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 139010732) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID139010732
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide
SMILESO=C(Nc1cccnn1)N1CC2(CCC2)C1c1ccccc1
InChIInChI=1S/C17H18N4O/c22-16(19-14-8-4-11-18-20-14)21-12-17(9-5-10-17)15(21)13-6-2-1-3-7-13/h1-4,6-8,11,15H,5,9-10,12H2,(H,19,20,22)
InChIKeyDFDANSQDEJBWAT-UHFFFAOYSA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 129347242
9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide
CID 138998106
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
CID 154770333
4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
CID 122021796
(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
CID 129347762
2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid
CID 154746480
2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid
CID 116786341
(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
CID 129348005
pyridazin-3-ylurea
CID 13080987
3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
CID 128658185
2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 116786343
(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124741114

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide (CID 139010732) is 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide is O=C(Nc1cccnn1)N1CC2(CCC2)C1c1ccccc1.
What is the InChIKey of 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is DFDANSQDEJBWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-16(19-14-8-4-11-18-20-14)21-12-17(9-5-10-17)15(21)13-6-2-1-3-7-13/h1-4,6-8,11,15H,5,9-10,12H2,(H,19,20,22).
What are the key properties of 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide?
3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 139010732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).