N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

C18H15N3O3 — CID 17297031

IUPACN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H15N3O3/c22-17(20-12-15-6-1-2-9-19-15)13-5-3-7-14(11-13)21-18(23)16-8-4-10-24-16/h1-11H,12H2,(H,20,22)(H,21,23)
InChIKeyROBQMGXWPPFWHY-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.86
Rot. Bonds5

About N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide

N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 17297031) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID17297031
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H15N3O3/c22-17(20-12-15-6-1-2-9-19-15)13-5-3-7-14(11-13)21-18(23)16-8-4-10-24-16/h1-11H,12H2,(H,20,22)(H,21,23)
InChIKeyROBQMGXWPPFWHY-UHFFFAOYSA-N
XLogP2.86
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 86836025
7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 55782670
N-[3-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 110970616
N-[3-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55852480
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
5-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 55783720
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide (CID 17297031) is N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is ROBQMGXWPPFWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17(20-12-15-6-1-2-9-19-15)13-5-3-7-14(11-13)21-18(23)16-8-4-10-24-16/h1-11H,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide?
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17297031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).