methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate

C12H19N3O2 — CID 55098006

IUPACmethyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
SMILESCCN(C)CCNc1ncccc1C(=O)OC
InChIInChI=1S/C12H19N3O2/c1-4-15(2)9-8-14-11-10(12(16)17-3)6-5-7-13-11/h5-7H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyQUKBLDJAKYXIRX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.23
Rot. Bonds6

About methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate

methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate (PubChem CID 55098006) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
PubChem CID55098006
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
SMILESCCN(C)CCNc1ncccc1C(=O)OC
InChIInChI=1S/C12H19N3O2/c1-4-15(2)9-8-14-11-10(12(16)17-3)6-5-7-13-11/h5-7H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyQUKBLDJAKYXIRX-UHFFFAOYSA-N
XLogP1.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 62844186
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
CID 105418983
3-[2-[ethyl(methyl)amino]ethylamino]pyrazine-2-carboxylic acid
CID 62710303
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
CID 106108531
2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
3-acetyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 148897885
methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate
CID 60712823

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate (CID 55098006) is methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate is CCN(C)CCNc1ncccc1C(=O)OC.
What is the InChIKey of methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate?
The InChIKey is QUKBLDJAKYXIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-15(2)9-8-14-11-10(12(16)17-3)6-5-7-13-11/h5-7H,4,8-9H2,1-3H3,(H,13,14).
What are the key properties of methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate?
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 55098006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).