methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate

C10H13N3O4 — CID 106170716

IUPACmethyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC(O)C(N)=O)ccn1
InChIInChI=1S/C10H13N3O4/c1-17-10(16)7-4-6(2-3-12-7)13-5-8(14)9(11)15/h2-4,8,14H,5H2,1H3,(H2,11,15)(H,12,13)
InChIKeyAPOKNGXKDPAOKR-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.87
Rot. Bonds5

About methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate

methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate (PubChem CID 106170716) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate
PubChem CID106170716
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC(O)C(N)=O)ccn1
InChIInChI=1S/C10H13N3O4/c1-17-10(16)7-4-6(2-3-12-7)13-5-8(14)9(11)15/h2-4,8,14H,5H2,1H3,(H2,11,15)(H,12,13)
InChIKeyAPOKNGXKDPAOKR-UHFFFAOYSA-N
XLogP-0.87
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 113243750
3-[[(2-methoxycarbonyl-4-pyridinyl)amino]methyl]pentanoic acid
CID 81065273
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394
methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
CID 66285885
methyl 4-(1-aminobutan-2-ylamino)pyridine-2-carboxylate
CID 66286519
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate (CID 106170716) is methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate is COC(=O)c1cc(NCC(O)C(N)=O)ccn1.
What is the InChIKey of methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate?
The InChIKey is APOKNGXKDPAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-10(16)7-4-6(2-3-12-7)13-5-8(14)9(11)15/h2-4,8,14H,5H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate?
methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate has a molecular weight of 239.23 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 106170716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).