N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide

C18H15N3O3 — CID 17297144

IUPACN-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Cc1cccnc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H15N3O3/c22-17(11-13-3-1-9-19-12-13)20-14-5-7-15(8-6-14)21-18(23)16-4-2-10-24-16/h1-10,12H,11H2,(H,20,22)(H,21,23)
InChIKeyJAOJANHQAJOZAH-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.11
Rot. Bonds5

About N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide

N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide (PubChem CID 17297144) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
PubChem CID17297144
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Cc1cccnc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H15N3O3/c22-17(11-13-3-1-9-19-12-13)20-14-5-7-15(8-6-14)21-18(23)16-4-2-10-24-16/h1-10,12H,11H2,(H,20,22)(H,21,23)
InChIKeyJAOJANHQAJOZAH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
CID 75457531
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
CID 131865555
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide (CID 17297144) is N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide is O=C(Cc1cccnc1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is JAOJANHQAJOZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17(11-13-3-1-9-19-12-13)20-14-5-7-15(8-6-14)21-18(23)16-4-2-10-24-16/h1-10,12H,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide?
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17297144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).