ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate

C13H21N3O3 — CID 114047070

IUPACethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1N(C)C(C)COC
InChIInChI=1S/C13H21N3O3/c1-5-19-13(17)11-6-10(14)7-15-12(11)16(3)9(2)8-18-4/h6-7,9H,5,8,14H2,1-4H3
InChIKeyRFNHUUBDFSVEGY-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.31
Rot. Bonds6

About ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate

ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate (PubChem CID 114047070) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
PubChem CID114047070
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1N(C)C(C)COC
InChIInChI=1S/C13H21N3O3/c1-5-19-13(17)11-6-10(14)7-15-12(11)16(3)9(2)8-18-4/h6-7,9H,5,8,14H2,1-4H3
InChIKeyRFNHUUBDFSVEGY-UHFFFAOYSA-N
XLogP1.31
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032
ethyl 5-amino-2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 114047135
ethyl 5-amino-2-[methyl(3-methylsulfanylpropyl)amino]pyridine-3-carboxylate
CID 114238201
ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate
CID 114047587
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
CID 114047407
ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate
CID 107195377
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834
ethyl 5-amino-2-[1-hydroxypropan-2-yl(methyl)amino]benzoate
CID 104553683
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
2-N,3-dimethyl-2-N-(4-methylpentan-2-yl)pyridine-2,5-diamine
CID 62477075

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate (CID 114047070) is ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1N(C)C(C)COC.
What is the InChIKey of ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate?
The InChIKey is RFNHUUBDFSVEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-19-13(17)11-6-10(14)7-15-12(11)16(3)9(2)8-18-4/h6-7,9H,5,8,14H2,1-4H3.
What are the key properties of ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate?
ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 114047070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).