methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate

C16H25N3O6 — CID 171885474

IUPACmethyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(C(O)C(O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25N3O6/c1-16(2,3)25-15(23)18-6-5-11(20)12(21)10-7-9(14(22)24-4)8-19-13(10)17/h7-8,11-12,20-21H,5-6H2,1-4H3,(H2,17,19)(H,18,23)
InChIKeyICHDTSYYDNPHDA-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.76
Rot. Bonds6

About methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate

methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate (PubChem CID 171885474) has the molecular formula C16H25N3O6 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
PubChem CID171885474
Molecular FormulaC16H25N3O6
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC Namemethyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(C(O)C(O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25N3O6/c1-16(2,3)25-15(23)18-6-5-11(20)12(21)10-7-9(14(22)24-4)8-19-13(10)17/h7-8,11-12,20-21H,5-6H2,1-4H3,(H2,17,19)(H,18,23)
InChIKeyICHDTSYYDNPHDA-UHFFFAOYSA-N
XLogP0.76
TPSA144.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl N-[4-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884501
methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171881890
methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate
CID 171887266
methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885304
4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878308
tert-butyl N-[4-(6-chloro-4-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884554
methyl 5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-methylpyridine-2-carboxylate
CID 171885516
4-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-methoxybenzoic acid
CID 171885445
tert-butyl N-[4-(5-amino-2-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884532
tert-butyl N-[4-(4-amino-2,5-dichlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884916
tert-butyl N-[4-(4-amino-2-cyanophenyl)-3,4-dihydroxybutyl]carbamate
CID 171884824
3-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylic acid
CID 171885219

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate (CID 171885474) is methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate is COC(=O)c1cnc(N)c(C(O)C(O)CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate?
The InChIKey is ICHDTSYYDNPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6/c1-16(2,3)25-15(23)18-6-5-11(20)12(21)10-7-9(14(22)24-4)8-19-13(10)17/h7-8,11-12,20-21H,5-6H2,1-4H3,(H2,17,19)(H,18,23).
What are the key properties of methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate?
methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 0.76, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate is sourced from PubChem (CID 171885474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).