5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide

C21H22N2O2 — CID 5295600

IUPAC5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESCC(C)Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)o1
InChIInChI=1S/C21H22N2O2/c1-15(2)13-19-7-8-20(25-19)21(24)23-18-5-3-16(4-6-18)14-17-9-11-22-12-10-17/h3-12,15H,13-14H2,1-2H3,(H,23,24)
InChIKeyOPANOIKTFMMBBS-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.72
Rot. Bonds6

About 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide

5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 5295600) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
PubChem CID5295600
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESCC(C)Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)o1
InChIInChI=1S/C21H22N2O2/c1-15(2)13-19-7-8-20(25-19)21(24)23-18-5-3-16(4-6-18)14-17-9-11-22-12-10-17/h3-12,15H,13-14H2,1-2H3,(H,23,24)
InChIKeyOPANOIKTFMMBBS-UHFFFAOYSA-N
XLogP4.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide (CID 5295600) is 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide is CC(C)Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)o1.
What is the InChIKey of 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is OPANOIKTFMMBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(2)13-19-7-8-20(25-19)21(24)23-18-5-3-16(4-6-18)14-17-9-11-22-12-10-17/h3-12,15H,13-14H2,1-2H3,(H,23,24).
What are the key properties of 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 5295600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).