N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide

C23H18N4O2S — CID 118500465

IUPACN-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1nn(-c2cccc(Sc3ccccc3)c2)c2ncccc2c1=O
InChIInChI=1S/C23H18N4O2S/c28-21-19-10-5-13-24-22(19)27(26-20(21)23(29)25-15-11-12-15)16-6-4-9-18(14-16)30-17-7-2-1-3-8-17/h1-10,13-15H,11-12H2,(H,25,29)
InChIKeyOFXATMKPRMWCHO-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.82
Rot. Bonds5

About N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide

N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide (PubChem CID 118500465) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide
PubChem CID118500465
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC NameN-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1nn(-c2cccc(Sc3ccccc3)c2)c2ncccc2c1=O
InChIInChI=1S/C23H18N4O2S/c28-21-19-10-5-13-24-22(19)27(26-20(21)23(29)25-15-11-12-15)16-6-4-9-18(14-16)30-17-7-2-1-3-8-17/h1-10,13-15H,11-12H2,(H,25,29)
InChIKeyOFXATMKPRMWCHO-UHFFFAOYSA-N
XLogP3.82
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10274246
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CID 16086882
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CID 44140219
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CID 15952877
CID 15952877
CID 57649109
CID 57649109
CID 57649337
CID 57649337
CID 141165513
CID 141165513
CID 18912993
CID 18912993
CID 18913011
CID 18913011
CID 18913029
CID 18913029
CID 18913065
CID 18913065

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide (CID 118500465) is N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide is O=C(NC1CC1)c1nn(-c2cccc(Sc3ccccc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide?
The InChIKey is OFXATMKPRMWCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c28-21-19-10-5-13-24-22(19)27(26-20(21)23(29)25-15-11-12-15)16-6-4-9-18(14-16)30-17-7-2-1-3-8-17/h1-10,13-15H,11-12H2,(H,25,29).
What are the key properties of N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide?
N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-1-(3-phenylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 118500465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).