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

C13H20N2O3 — CID 66285885

IUPACmethyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
SMILESCCC(O)(CC)CNc1ccnc(C(=O)OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-13(17,5-2)9-15-10-6-7-14-11(8-10)12(16)18-3/h6-8,17H,4-5,9H2,1-3H3,(H,14,15)
InChIKeyPRUCUCRFUYSOGE-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.83
Rot. Bonds6

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

methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate (PubChem CID 66285885) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
PubChem CID66285885
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
SMILESCCC(O)(CC)CNc1ccnc(C(=O)OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-13(17,5-2)9-15-10-6-7-14-11(8-10)12(16)18-3/h6-8,17H,4-5,9H2,1-3H3,(H,14,15)
InChIKeyPRUCUCRFUYSOGE-UHFFFAOYSA-N
XLogP1.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394
methyl 4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxylate
CID 114384333
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-(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
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate (CID 66285885) is methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate is CCC(O)(CC)CNc1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate?
The InChIKey is PRUCUCRFUYSOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-13(17,5-2)9-15-10-6-7-14-11(8-10)12(16)18-3/h6-8,17H,4-5,9H2,1-3H3,(H,14,15).
What are the key properties of methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate?
methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.83, 6 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-hydroxybutyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 66285885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).