[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate

C18H29N3O4 — CID 18201993

IUPAC[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)NC(C)CCCC(C)C)ccc1=O
InChIInChI=1S/C18H29N3O4/c1-5-11-21-17(23)10-9-15(20-21)18(24)25-12-16(22)19-14(4)8-6-7-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,19,22)
InChIKeyQKIZOJQMSGTPQJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.14
Rot. Bonds10

About [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate

[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 18201993) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID18201993
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)NC(C)CCCC(C)C)ccc1=O
InChIInChI=1S/C18H29N3O4/c1-5-11-21-17(23)10-9-15(20-21)18(24)25-12-16(22)19-14(4)8-6-7-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,19,22)
InChIKeyQKIZOJQMSGTPQJ-UHFFFAOYSA-N
XLogP2.14
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628786
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18104073
(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080248
[2-(cyclopentylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080249
[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18082180
[2-(4-acetamidoanilino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682315
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18081052
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 30696795
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18197054
[2-(cyclopentylamino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080240
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]oxyacetic acid
CID 63913396

Frequently Asked Questions

What is the IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate (CID 18201993) is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCC(=O)NC(C)CCCC(C)C)ccc1=O.
What is the InChIKey of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is QKIZOJQMSGTPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-5-11-21-17(23)10-9-15(20-21)18(24)25-12-16(22)19-14(4)8-6-7-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,19,22).
What are the key properties of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate?
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 18201993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).