N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide

C15H22ClN3O4 — CID 140767230

IUPACN-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide
SMILESCC1(C)OC[C@@H](Cn2nc(Cl)cc(NC(=O)C(C)(C)C)c2=O)O1
InChIInChI=1S/C15H22ClN3O4/c1-14(2,3)13(21)17-10-6-11(16)18-19(12(10)20)7-9-8-22-15(4,5)23-9/h6,9H,7-8H2,1-5H3,(H,17,21)/t9-/m1/s1
InChIKeyDAOZXCMIMPJUJO-SECBINFHSA-N
MW343.81 g/mol
LogP2.03
Rot. Bonds3

About N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide

N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide (PubChem CID 140767230) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide
PubChem CID140767230
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC NameN-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide
SMILESCC1(C)OC[C@@H](Cn2nc(Cl)cc(NC(=O)C(C)(C)C)c2=O)O1
InChIInChI=1S/C15H22ClN3O4/c1-14(2,3)13(21)17-10-6-11(16)18-19(12(10)20)7-9-8-22-15(4,5)23-9/h6,9H,7-8H2,1-5H3,(H,17,21)/t9-/m1/s1
InChIKeyDAOZXCMIMPJUJO-SECBINFHSA-N
XLogP2.03
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[6-chloro-3-oxo-2-[(3S)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide
CID 164559263
N-[6-chloro-3-oxo-2-[(3R)-oxolan-3-yl]pyridazin-4-yl]-2,2-dimethylpropanamide
CID 167134780
N-[2-(2-butoxyethyl)-6-chloro-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide
CID 168076099

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide (CID 140767230) is N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide is CC1(C)OC[C@@H](Cn2nc(Cl)cc(NC(=O)C(C)(C)C)c2=O)O1.
What is the InChIKey of N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is DAOZXCMIMPJUJO-SECBINFHSA-N. The full InChI is InChI=1S/C15H22ClN3O4/c1-14(2,3)13(21)17-10-6-11(16)18-19(12(10)20)7-9-8-22-15(4,5)23-9/h6,9H,7-8H2,1-5H3,(H,17,21)/t9-/m1/s1.
What are the key properties of N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide?
N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 343.81 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-oxopyridazin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 140767230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).