[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate

C18H26N4O4 — CID 51912085

IUPAC[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1=O
InChIInChI=1S/C18H26N4O4/c1-6-7-10-22-15(23)9-8-14(21-22)17(25)26-13(4)16(24)20-18(5,11-19)12(2)3/h8-9,12-13H,6-7,10H2,1-5H3,(H,20,24)/t13-,18+/m1/s1
InChIKeyBDGPGVGRPZOLDR-ACJLOTCBSA-N
MW362.43 g/mol
LogP1.64
Rot. Bonds8

About [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate

[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate (PubChem CID 51912085) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
PubChem CID51912085
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
SMILESCCCCn1nc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1=O
InChIInChI=1S/C18H26N4O4/c1-6-7-10-22-15(23)9-8-14(21-22)17(25)26-13(4)16(24)20-18(5,11-19)12(2)3/h8-9,12-13H,6-7,10H2,1-5H3,(H,20,24)/t13-,18+/m1/s1
InChIKeyBDGPGVGRPZOLDR-ACJLOTCBSA-N
XLogP1.64
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18289394
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18283472
[(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 51937217
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789283
[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080601
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167915
[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 8575835
[(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949905
[(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363287
1-butyl-N-(2-methylpropoxy)-6-oxopyridazine-3-carboxamide
CID 115409703
[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18128343

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate (CID 51912085) is [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate is CCCCn1nc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1=O.
What is the InChIKey of [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate?
The InChIKey is BDGPGVGRPZOLDR-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-6-7-10-22-15(23)9-8-14(21-22)17(25)26-13(4)16(24)20-18(5,11-19)12(2)3/h8-9,12-13H,6-7,10H2,1-5H3,(H,20,24)/t13-,18+/m1/s1.
What are the key properties of [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate?
[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 51912085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).