3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide

C19H18N2O3 — CID 30889619

IUPAC3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide
SMILESO=C(NCCc1cccnc1)c1occc1COc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-19(21-11-8-15-5-4-10-20-13-15)18-16(9-12-23-18)14-24-17-6-2-1-3-7-17/h1-7,9-10,12-13H,8,11,14H2,(H,21,22)
InChIKeyWIEXFNVYODQNQP-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.23
Rot. Bonds7

About 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide

3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide (PubChem CID 30889619) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide
PubChem CID30889619
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide
SMILESO=C(NCCc1cccnc1)c1occc1COc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-19(21-11-8-15-5-4-10-20-13-15)18-16(9-12-23-18)14-24-17-6-2-1-3-7-17/h1-7,9-10,12-13H,8,11,14H2,(H,21,22)
InChIKeyWIEXFNVYODQNQP-UHFFFAOYSA-N
XLogP3.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]furan-2-carboxamide
CID 47089669
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
CID 75512492
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55743245
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide (CID 30889619) is 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide is O=C(NCCc1cccnc1)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide?
The InChIKey is WIEXFNVYODQNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(21-11-8-15-5-4-10-20-13-15)18-16(9-12-23-18)14-24-17-6-2-1-3-7-17/h1-7,9-10,12-13H,8,11,14H2,(H,21,22).
What are the key properties of 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide?
3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-(2-pyridin-3-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 30889619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).