methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate

C19H22ClN3O4 — CID 51256857

IUPACmethyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate
SMILESCCCCn1nc(C(=O)NC(CC(=O)OC)c2ccccc2Cl)ccc1=O
InChIInChI=1S/C19H22ClN3O4/c1-3-4-11-23-17(24)10-9-15(22-23)19(26)21-16(12-18(25)27-2)13-7-5-6-8-14(13)20/h5-10,16H,3-4,11-12H2,1-2H3,(H,21,26)
InChIKeyJRBILEWMBHXCLN-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.73
Rot. Bonds8

About methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate

methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate (PubChem CID 51256857) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate
PubChem CID51256857
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Namemethyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate
SMILESCCCCn1nc(C(=O)NC(CC(=O)OC)c2ccccc2Cl)ccc1=O
InChIInChI=1S/C19H22ClN3O4/c1-3-4-11-23-17(24)10-9-15(22-23)19(26)21-16(12-18(25)27-2)13-7-5-6-8-14(13)20/h5-10,16H,3-4,11-12H2,1-2H3,(H,21,26)
InChIKeyJRBILEWMBHXCLN-UHFFFAOYSA-N
XLogP2.73
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(2-chlorophenyl)-3-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 95770938
methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate
CID 55437033
1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide
CID 78778121
(2,6-dichlorophenyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 86975448
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 78775928
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate?
The IUPAC name of methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate (CID 51256857) is methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate.
What is the SMILES notation for methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate?
The canonical SMILES for methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate is CCCCn1nc(C(=O)NC(CC(=O)OC)c2ccccc2Cl)ccc1=O.
What is the InChIKey of methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate?
The InChIKey is JRBILEWMBHXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-3-4-11-23-17(24)10-9-15(22-23)19(26)21-16(12-18(25)27-2)13-7-5-6-8-14(13)20/h5-10,16H,3-4,11-12H2,1-2H3,(H,21,26).
What are the key properties of methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate?
methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate has a molecular weight of 391.86 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate is sourced from PubChem (CID 51256857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).