methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate

C13H14N2O3 — CID 43219093

IUPACmethyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCc2ccccn2)o1
InChIInChI=1S/C13H14N2O3/c1-17-13(16)12-6-5-11(18-12)9-14-8-10-4-2-3-7-15-10/h2-7,14H,8-9H2,1H3
InChIKeyJQTGJKUXYOFIBO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.75
Rot. Bonds5

About methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate

methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate (PubChem CID 43219093) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
PubChem CID43219093
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCc2ccccn2)o1
InChIInChI=1S/C13H14N2O3/c1-17-13(16)12-6-5-11(18-12)9-14-8-10-4-2-3-7-15-10/h2-7,14H,8-9H2,1H3
InChIKeyJQTGJKUXYOFIBO-UHFFFAOYSA-N
XLogP1.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
methyl 5-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 55170799
methyl 5-[[(2-methylpyrazol-3-yl)methylamino]methyl]furan-2-carboxylate
CID 63302632
5-[(pyridin-2-ylmethylamino)methyl]furan-2-amine
CID 82344514
methyl 5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 103923082
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate (CID 43219093) is methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCc2ccccn2)o1.
What is the InChIKey of methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate?
The InChIKey is JQTGJKUXYOFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-13(16)12-6-5-11(18-12)9-14-8-10-4-2-3-7-15-10/h2-7,14H,8-9H2,1H3.
What are the key properties of methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate?
methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43219093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).