methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate

C12H19N3O3 — CID 114047407

IUPACmethyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N(C)CCC(C)O
InChIInChI=1S/C12H19N3O3/c1-8(16)4-5-15(2)11-10(12(17)18-3)6-9(13)7-14-11/h6-8,16H,4-5,13H2,1-3H3
InChIKeyWNAIAJSODBPSMB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.66
Rot. Bonds5

About methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate

methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate (PubChem CID 114047407) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
PubChem CID114047407
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N(C)CCC(C)O
InChIInChI=1S/C12H19N3O3/c1-8(16)4-5-15(2)11-10(12(17)18-3)6-9(13)7-14-11/h6-8,16H,4-5,13H2,1-3H3
InChIKeyWNAIAJSODBPSMB-UHFFFAOYSA-N
XLogP0.66
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[3-hydroxybutyl(methyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214651
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
CID 81058266
5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399
methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 114047408
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
ethyl 5-amino-2-[methyl(3-methylsulfanylpropyl)amino]pyridine-3-carboxylate
CID 114238201
ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
CID 114047070
ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 114047135
methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
CID 81062020
5-amino-2-[methyl(pentyl)amino]pyridine-3-carboxamide
CID 61358598
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
CID 55005406

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate (CID 114047407) is methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1N(C)CCC(C)O.
What is the InChIKey of methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate?
The InChIKey is WNAIAJSODBPSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(16)4-5-15(2)11-10(12(17)18-3)6-9(13)7-14-11/h6-8,16H,4-5,13H2,1-3H3.
What are the key properties of methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate?
methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 114047407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).