N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide

C21H21FN2O3 — CID 176672613

IUPACN-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide
SMILESCOc1ccc(-c2occc2C(=O)NCCCc2cncc(F)c2)cc1C
InChIInChI=1S/C21H21FN2O3/c1-14-10-16(5-6-19(14)26-2)20-18(7-9-27-20)21(25)24-8-3-4-15-11-17(22)13-23-12-15/h5-7,9-13H,3-4,8H2,1-2H3,(H,24,25)
InChIKeyMTKJVNGMBZCHLW-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.16
Rot. Bonds7

About N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide

N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide (PubChem CID 176672613) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide
PubChem CID176672613
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide
SMILESCOc1ccc(-c2occc2C(=O)NCCCc2cncc(F)c2)cc1C
InChIInChI=1S/C21H21FN2O3/c1-14-10-16(5-6-19(14)26-2)20-18(7-9-27-20)21(25)24-8-3-4-15-11-17(22)13-23-12-15/h5-7,9-13H,3-4,8H2,1-2H3,(H,24,25)
InChIKeyMTKJVNGMBZCHLW-UHFFFAOYSA-N
XLogP4.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
CID 176672661
ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 176672630
ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide
CID 176672711
3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503068
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]-4-methylbenzamide
CID 104953550
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[(2R)-1-[2-(5-fluoro-3-pyridinyl)ethyl]-2-hydroxycyclopropyl]-5-(3-iodo-4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 176672720
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
N-[3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111817744
N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 84534524
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175387

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide?
The IUPAC name of N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide (CID 176672613) is N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide is COc1ccc(-c2occc2C(=O)NCCCc2cncc(F)c2)cc1C.
What is the InChIKey of N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide?
The InChIKey is MTKJVNGMBZCHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14-10-16(5-6-19(14)26-2)20-18(7-9-27-20)21(25)24-8-3-4-15-11-17(22)13-23-12-15/h5-7,9-13H,3-4,8H2,1-2H3,(H,24,25).
What are the key properties of N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide?
N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-3-pyridinyl)propyl]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide is sourced from PubChem (CID 176672613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).