N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide

C19H21ClN4O3 — CID 109123538

IUPACN-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C19H21ClN4O3/c1-13-2-3-14(20)12-16(13)21-18(25)15-4-5-17(23-22-15)24-8-6-19(7-9-24)26-10-11-27-19/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyWMIWIDFQCXYFIO-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.03
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide

N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide (PubChem CID 109123538) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
PubChem CID109123538
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1
InChIInChI=1S/C19H21ClN4O3/c1-13-2-3-14(20)12-16(13)21-18(25)15-4-5-17(23-22-15)24-8-6-19(7-9-24)26-10-11-27-19/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyWMIWIDFQCXYFIO-UHFFFAOYSA-N
XLogP3.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352528
N-(2,4-dimethylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123515
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109123532
N-(3-chloro-4-fluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123541
N-(3,4-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123570
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
methyl 4-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109123556
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118140
N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120568178
N-(5-chloro-2-methylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112922883

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide (CID 109123538) is N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)nn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide?
The InChIKey is WMIWIDFQCXYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-13-2-3-14(20)12-16(13)21-18(25)15-4-5-17(23-22-15)24-8-6-19(7-9-24)26-10-11-27-19/h2-5,12H,6-11H2,1H3,(H,21,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109123538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).