2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide

C19H18N2O3 — CID 90596035

IUPAC2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Oc3ccccn3)c2)c(C)o1
InChIInChI=1S/C19H18N2O3/c1-13-10-17(14(2)23-13)19(22)21-12-15-6-5-7-16(11-15)24-18-8-3-4-9-20-18/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyCTJZAUJRSCTGOU-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.01
Rot. Bonds5

About 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide (PubChem CID 90596035) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
PubChem CID90596035
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(Oc3ccccn3)c2)c(C)o1
InChIInChI=1S/C19H18N2O3/c1-13-10-17(14(2)23-13)19(22)21-12-15-6-5-7-16(11-15)24-18-8-3-4-9-20-18/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyCTJZAUJRSCTGOU-UHFFFAOYSA-N
XLogP4.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide;hydrochloride
CID 119099681
5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 90596276
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90596115
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
CID 90596329
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596103

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide (CID 90596035) is 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2cccc(Oc3ccccn3)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide?
The InChIKey is CTJZAUJRSCTGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-10-17(14(2)23-13)19(22)21-12-15-6-5-7-16(11-15)24-18-8-3-4-9-20-18/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 90596035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).