N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide

C18H16N4O3 — CID 113020477

IUPACN-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccco3)cn2)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)20-13-4-2-5-14(10-13)21-17-8-7-15(11-19-17)22-18(24)16-6-3-9-25-16/h2-11H,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyFJQMCYNZNCBRAU-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.63
Rot. Bonds5

About N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide

N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide (PubChem CID 113020477) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide
PubChem CID113020477
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccco3)cn2)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)20-13-4-2-5-14(10-13)21-17-8-7-15(11-19-17)22-18(24)16-6-3-9-25-16/h2-11H,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyFJQMCYNZNCBRAU-UHFFFAOYSA-N
XLogP3.63
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-fluoroanilino)-3-pyridinyl]furan-2-carboxamide
CID 113021264
N-[6-(3,4-dimethylanilino)-3-pyridinyl]furan-2-carboxamide
CID 113016955
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113021798
N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032100
N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide (CID 113020477) is N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccco3)cn2)c1.
What is the InChIKey of N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is FJQMCYNZNCBRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(23)20-13-4-2-5-14(10-13)21-17-8-7-15(11-19-17)22-18(24)16-6-3-9-25-16/h2-11H,1H3,(H,19,21)(H,20,23)(H,22,24).
What are the key properties of N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide?
N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113020477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).