N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide

C22H24N4O2 — CID 66989131

IUPACN-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(C(C)C)c2n(C)c1=O
InChIInChI=1S/C22H24N4O2/c1-12(2)19-20-15(11-23-25-19)10-18(22(28)26(20)4)17-9-14(6-5-13(17)3)21(27)24-16-7-8-16/h5-6,9-12,16H,7-8H2,1-4H3,(H,24,27)
InChIKeyQHJDQMHUTDXFFP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.32
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide

N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide (PubChem CID 66989131) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide
PubChem CID66989131
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(C(C)C)c2n(C)c1=O
InChIInChI=1S/C22H24N4O2/c1-12(2)19-20-15(11-23-25-19)10-18(22(28)26(20)4)17-9-14(6-5-13(17)3)21(27)24-16-7-8-16/h5-6,9-12,16H,7-8H2,1-4H3,(H,24,27)
InChIKeyQHJDQMHUTDXFFP-UHFFFAOYSA-N
XLogP3.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide with MolForge

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Related Compounds

N-cyclopropyl-3-(1-cyclopropylsulfonyl-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
CID 68737257
3-[5-(2-cyclopropylacetyl)-2-methylphenyl]-1-methyl-8-(5-methyl-1H-pyrazol-4-yl)pyrido[2,3-d]pyridazin-2-one
CID 58505996
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
CID 11314984
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
3-[3-(2-chloro-6-fluorophenyl)-5-methyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide
CID 57399621
N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
CID 25016855
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
CID 68712789

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide (CID 66989131) is N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(C(C)C)c2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide?
The InChIKey is QHJDQMHUTDXFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-12(2)19-20-15(11-23-25-19)10-18(22(28)26(20)4)17-9-14(6-5-13(17)3)21(27)24-16-7-8-16/h5-6,9-12,16H,7-8H2,1-4H3,(H,24,27).
What are the key properties of N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide?
N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide is sourced from PubChem (CID 66989131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).