N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide

C22H25N3O3 — CID 55743245

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)c2occc2COc2ccccc2)cn1
InChIInChI=1S/C22H25N3O3/c1-3-25(4-2)20-11-10-17(14-23-20)15-24-22(26)21-18(12-13-27-21)16-28-19-8-6-5-7-9-19/h5-14H,3-4,15-16H2,1-2H3,(H,24,26)
InChIKeyQLSQBQIUSXQFQG-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.03
Rot. Bonds9

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 55743245) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID55743245
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)c2occc2COc2ccccc2)cn1
InChIInChI=1S/C22H25N3O3/c1-3-25(4-2)20-11-10-17(14-23-20)15-24-22(26)21-18(12-13-27-21)16-28-19-8-6-5-7-9-19/h5-14H,3-4,15-16H2,1-2H3,(H,24,26)
InChIKeyQLSQBQIUSXQFQG-UHFFFAOYSA-N
XLogP4.03
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
CID 75512492
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 55743245) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide is CCN(CC)c1ccc(CNC(=O)c2occc2COc2ccccc2)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is QLSQBQIUSXQFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-25(4-2)20-11-10-17(14-23-20)15-24-22(26)21-18(12-13-27-21)16-28-19-8-6-5-7-9-19/h5-14H,3-4,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 55743245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).