N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide

C22H17N3O3 — CID 113035819

IUPACN-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)cn1)c1ccco1
InChIInChI=1S/C22H17N3O3/c26-22(20-7-4-14-27-20)25-21-13-10-17(15-23-21)24-16-8-11-19(12-9-16)28-18-5-2-1-3-6-18/h1-15,24H,(H,23,25,26)
InChIKeyCANBVRXDWGUTDI-UHFFFAOYSA-N
MW371.40 g/mol
LogP5.46
Rot. Bonds6

About N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide

N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 113035819) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide
PubChem CID113035819
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)cn1)c1ccco1
InChIInChI=1S/C22H17N3O3/c26-22(20-7-4-14-27-20)25-21-13-10-17(15-23-21)24-16-8-11-19(12-9-16)28-18-5-2-1-3-6-18/h1-15,24H,(H,23,25,26)
InChIKeyCANBVRXDWGUTDI-UHFFFAOYSA-N
XLogP5.46
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032100
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide
CID 113029807
N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113034810
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021208
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]furan-2-carboxamide
CID 113027322
N-[5-(butanoylamino)-2-pyridinyl]furan-2-carboxamide
CID 1452808
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113035740

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide (CID 113035819) is N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)cn1)c1ccco1.
What is the InChIKey of N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is CANBVRXDWGUTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-22(20-7-4-14-27-20)25-21-13-10-17(15-23-21)24-16-8-11-19(12-9-16)28-18-5-2-1-3-6-18/h1-15,24H,(H,23,25,26).
What are the key properties of N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113035819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).