tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid

C94H123N11O22 — CID 159373998

IUPACtert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid
SMILESCNO.COC(=O)c1ccc(CCC(=O)C(Cc2ccc(C)cn2)NC(=O)OC(C)(C)C)cc1.COC(=O)c1ccc(CN)cc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)CCc2ccc(C(=O)NO)cc2)nc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)CCc2ccc(C(=O)O)cc2)nc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)nc1
InChIInChI=1S/C24H30N2O5.C23H29N3O5.C23H28N2O5.C14H20N2O4.C9H11NO2.CH5NO/c1-16-6-12-19(25-15-16)14-20(26-23(29)31-24(2,3)4)21(27)13-9-17-7-10-18(11-8-17)22(28)30-5;1-15-5-11-18(24-14-15)13-19(25-22(29)31-23(2,3)4)20(27)12-8-16-6-9-17(10-7-16)21(28)26-30;1-15-5-11-18(24-14-15)13-19(25-22(29)30-23(2,3)4)20(26)12-8-16-6-9-17(10-7-16)21(27)28;1-9-5-6-10(15-8-9)7-11(12(17)18)16-13(19)20-14(2,3)4;1-12-9(11)8-4-2-7(6-10)3-5-8;1-2-3/h6-8,10-12,15,20H,9,13-14H2,1-5H3,(H,26,29);5-7,9-11,14,19,30H,8,12-13H2,1-4H3,(H,25,29)(H,26,28);5-7,9-11,14,19H,8,12-13H2,1-4H3,(H,25,29)(H,27,28);5-6,8,11H,7H2,1-4H3,(H,16,19)(H,17,18);2-5H,6,10H2,1H3;2-3H,1H3
InChIKeyLKBVEPRQPFJIOA-UHFFFAOYSA-N
MW1759.07 g/mol
LogP13.12
Rot. Bonds30

About tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid

tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid (PubChem CID 159373998) has the molecular formula C94H123N11O22 and a molecular weight of 1759.07 g/mol. Its IUPAC name is tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Nametert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid
PubChem CID159373998
Molecular FormulaC94H123N11O22
Molecular Weight1759.07 g/mol
Exact Mass1757.88
IUPAC Nametert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid
SMILESCNO.COC(=O)c1ccc(CCC(=O)C(Cc2ccc(C)cn2)NC(=O)OC(C)(C)C)cc1.COC(=O)c1ccc(CN)cc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)CCc2ccc(C(=O)NO)cc2)nc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)CCc2ccc(C(=O)O)cc2)nc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)nc1
InChIInChI=1S/C24H30N2O5.C23H29N3O5.C23H28N2O5.C14H20N2O4.C9H11NO2.CH5NO/c1-16-6-12-19(25-15-16)14-20(26-23(29)31-24(2,3)4)21(27)13-9-17-7-10-18(11-8-17)22(28)30-5;1-15-5-11-18(24-14-15)13-19(25-22(29)31-23(2,3)4)20(27)12-8-16-6-9-17(10-7-16)21(28)26-30;1-15-5-11-18(24-14-15)13-19(25-22(29)30-23(2,3)4)20(26)12-8-16-6-9-17(10-7-16)21(27)28;1-9-5-6-10(15-8-9)7-11(12(17)18)16-13(19)20-14(2,3)4;1-12-9(11)8-4-2-7(6-10)3-5-8;1-2-3/h6-8,10-12,15,20H,9,13-14H2,1-5H3,(H,26,29);5-7,9-11,14,19,30H,8,12-13H2,1-4H3,(H,25,29)(H,26,28);5-7,9-11,14,19H,8,12-13H2,1-4H3,(H,25,29)(H,27,28);5-6,8,11H,7H2,1-4H3,(H,16,19)(H,17,18);2-5H,6,10H2,1H3;2-3H,1H3
InChIKeyLKBVEPRQPFJIOA-UHFFFAOYSA-N
XLogP13.12
TPSA490.90 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001759.07
LogP ≤ 513.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid (CID 159373998) is tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid is CNO.COC(=O)c1ccc(CCC(=O)C(Cc2ccc(C)cn2)NC(=O)OC(C)(C)C)cc1.COC(=O)c1ccc(CN)cc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)CCc2ccc(C(=O)NO)cc2)nc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)CCc2ccc(C(=O)O)cc2)nc1.Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)nc1.
What is the InChIKey of tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid?
The InChIKey is LKBVEPRQPFJIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5.C23H29N3O5.C23H28N2O5.C14H20N2O4.C9H11NO2.CH5NO/c1-16-6-12-19(25-15-16)14-20(26-23(29)31-24(2,3)4)21(27)13-9-17-7-10-18(11-8-17)22(28)30-5;1-15-5-11-18(24-14-15)13-19(25-22(29)31-23(2,3)4)20(27)12-8-16-6-9-17(10-7-16)21(28)26-30;1-15-5-11-18(24-14-15)13-19(25-22(29)30-23(2,3)4)20(26)12-8-16-6-9-17(10-7-16)21(27)28;1-9-5-6-10(15-8-9)7-11(12(17)18)16-13(19)20-14(2,3)4;1-12-9(11)8-4-2-7(6-10)3-5-8;1-2-3/h6-8,10-12,15,20H,9,13-14H2,1-5H3,(H,26,29);5-7,9-11,14,19,30H,8,12-13H2,1-4H3,(H,25,29)(H,26,28);5-7,9-11,14,19H,8,12-13H2,1-4H3,(H,25,29)(H,27,28);5-6,8,11H,7H2,1-4H3,(H,16,19)(H,17,18);2-5H,6,10H2,1H3;2-3H,1H3.
What are the key properties of tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid?
tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid has a molecular weight of 1759.07 g/mol, XLogP of 13.12, 30 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[4-(hydroxycarbamoyl)phenyl]-1-(5-methyl-2-pyridinyl)-3-oxopentan-2-yl]carbamate;methyl 4-(aminomethyl)benzoate;N-methylhydroxylamine;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-methyl-2-pyridinyl)-3-oxopentyl]benzoic acid;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 159373998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).