ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate

C12H20N2O3 — CID 142388735

IUPACethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
SMILESCC.COC(=O)c1ccc(CNCCO)cn1
InChIInChI=1S/C10H14N2O3.C2H6/c1-15-10(14)9-3-2-8(7-12-9)6-11-4-5-13;1-2/h2-3,7,11,13H,4-6H2,1H3;1-2H3
InChIKeyALYZKIMEAYGYBQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.98
Rot. Bonds5

About ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate

ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate (PubChem CID 142388735) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
PubChem CID142388735
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate
SMILESCC.COC(=O)c1ccc(CNCCO)cn1
InChIInChI=1S/C10H14N2O3.C2H6/c1-15-10(14)9-3-2-8(7-12-9)6-11-4-5-13;1-2/h2-3,7,11,13H,4-6H2,1H3;1-2H3
InChIKeyALYZKIMEAYGYBQ-UHFFFAOYSA-N
XLogP0.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 150999370
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 5-[[(3,4-dichloro-2-pyridinyl)methylamino]methyl]pyridine-2-carboxylate
CID 168853758
methyl 5-[[(3-chloro-2-methoxy-4-pyridinyl)methylamino]methyl]pyridine-2-carboxylate
CID 170056291
5-[(2-hydroxyethylamino)methyl]-N-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;hydrochloride
CID 139537263
1-[5-[(2-aminoethylamino)methyl]-2-pyridinyl]ethanone
CID 70457829
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
CID 159420112
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869040
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate
CID 158779478

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate?
The IUPAC name of ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate (CID 142388735) is ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate is CC.COC(=O)c1ccc(CNCCO)cn1.
What is the InChIKey of ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate?
The InChIKey is ALYZKIMEAYGYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.C2H6/c1-15-10(14)9-3-2-8(7-12-9)6-11-4-5-13;1-2/h2-3,7,11,13H,4-6H2,1H3;1-2H3.
What are the key properties of ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate?
ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 142388735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).