methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate

C14H16N2O3 — CID 114699136

IUPACmethyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCc1ccncc1C
InChIInChI=1S/C14H16N2O3/c1-10-7-15-5-3-11(10)8-16-9-12-4-6-19-13(12)14(17)18-2/h3-7,16H,8-9H2,1-2H3
InChIKeyNPSSIIQRDBSQBG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.06
Rot. Bonds5

About methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate

methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate (PubChem CID 114699136) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate
PubChem CID114699136
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCc1ccncc1C
InChIInChI=1S/C14H16N2O3/c1-10-7-15-5-3-11(10)8-16-9-12-4-6-19-13(12)14(17)18-2/h3-7,16H,8-9H2,1-2H3
InChIKeyNPSSIIQRDBSQBG-UHFFFAOYSA-N
XLogP2.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 82732224
2-[(3-methyl-4-pyridinyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114263545
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]furan-2-carboxylate
CID 54885219
methyl 3-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-2-carboxylate
CID 63332859
4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[(3-imidazol-1-ylpropylamino)methyl]furan-2-carboxylate
CID 43425142
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate (CID 114699136) is methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNCc1ccncc1C.
What is the InChIKey of methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate?
The InChIKey is NPSSIIQRDBSQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-7-15-5-3-11(10)8-16-9-12-4-6-19-13(12)14(17)18-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate?
methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 114699136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).