methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate

C14H22N2O3 — CID 103844394

IUPACmethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
SMILESCCC(CC)(CO)CNc1ccnc(C(=O)OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-14(5-2,10-17)9-16-11-6-7-15-12(8-11)13(18)19-3/h6-8,17H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyLSTCBXOJPQCFSO-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.08
Rot. Bonds7

About methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate

methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate (PubChem CID 103844394) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
PubChem CID103844394
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
SMILESCCC(CC)(CO)CNc1ccnc(C(=O)OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-14(5-2,10-17)9-16-11-6-7-15-12(8-11)13(18)19-3/h6-8,17H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyLSTCBXOJPQCFSO-UHFFFAOYSA-N
XLogP2.08
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
CID 66285885
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-2-carboxylate
CID 106254630
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-2-carboxylate
CID 113243750
methyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 106170716
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
3-[[(2-methoxycarbonyl-4-pyridinyl)amino]methyl]pentanoic acid
CID 81065273
methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 103702630
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565
methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate (CID 103844394) is methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate is CCC(CC)(CO)CNc1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate?
The InChIKey is LSTCBXOJPQCFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-14(5-2,10-17)9-16-11-6-7-15-12(8-11)13(18)19-3/h6-8,17H,4-5,9-10H2,1-3H3,(H,15,16).
What are the key properties of methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate?
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 103844394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).