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

C13H21N3O3 — CID 79386110

IUPACmethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
SMILESCCN(CC(C)(C)O)c1nccc(C(=O)OC)c1N
InChIInChI=1S/C13H21N3O3/c1-5-16(8-13(2,3)18)11-10(14)9(6-7-15-11)12(17)19-4/h6-7,18H,5,8,14H2,1-4H3
InChIKeySNXPPGNSVZFPDP-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.05
Rot. Bonds5

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

methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate (PubChem CID 79386110) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
PubChem CID79386110
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
SMILESCCN(CC(C)(C)O)c1nccc(C(=O)OC)c1N
InChIInChI=1S/C13H21N3O3/c1-5-16(8-13(2,3)18)11-10(14)9(6-7-15-11)12(17)19-4/h6-7,18H,5,8,14H2,1-4H3
InChIKeySNXPPGNSVZFPDP-UHFFFAOYSA-N
XLogP1.05
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386492
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
CID 79390088
1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 106876362
methyl 2-(diethylamino)-3-nitropyridine-4-carboxylate
CID 165495545
methyl 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoate
CID 107196250
methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate
CID 106917726
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
CID 81062020
methyl 3-amino-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 104765047
methyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 112588507
methyl 3-amino-2-[(4-ethylphenyl)methylamino]pyridine-4-carboxylate
CID 106900660
3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
CID 79470438

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate (CID 79386110) is methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate is CCN(CC(C)(C)O)c1nccc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate?
The InChIKey is SNXPPGNSVZFPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-16(8-13(2,3)18)11-10(14)9(6-7-15-11)12(17)19-4/h6-7,18H,5,8,14H2,1-4H3.
What are the key properties of methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate?
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 79386110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).