ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide

C24H30FN3O2 — CID 176672711

IUPACethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide
SMILESCC.COc1ccc(C2=C(C(=O)NCCCc3cncc(F)c3)NCC=C2)cc1C
InChIInChI=1S/C22H24FN3O2.C2H6/c1-15-11-17(7-8-20(15)28-2)19-6-4-9-25-21(19)22(27)26-10-3-5-16-12-18(23)14-24-13-16;1-2/h4,6-8,11-14,25H,3,5,9-10H2,1-2H3,(H,26,27);1-2H3
InChIKeyMBOHMZYDAQIGTL-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.18
Rot. Bonds7

About ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide

ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 176672711) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Nameethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide
PubChem CID176672711
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Nameethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide
SMILESCC.COc1ccc(C2=C(C(=O)NCCCc3cncc(F)c3)NCC=C2)cc1C
InChIInChI=1S/C22H24FN3O2.C2H6/c1-15-11-17(7-8-20(15)28-2)19-6-4-9-25-21(19)22(27)26-10-3-5-16-12-18(23)14-24-13-16;1-2/h4,6-8,11-14,25H,3,5,9-10H2,1-2H3,(H,26,27);1-2H3
InChIKeyMBOHMZYDAQIGTL-UHFFFAOYSA-N
XLogP4.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
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]-2-(4-methoxy-3-methylphenyl)furan-3-carboxamide
CID 176672613
N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxamide
CID 176672661
ethane;5-(4-methoxy-3-methylphenyl)-N-[3-(1H-pyrazol-5-yl)propyl]-2,3-dihydro-1,3-oxazole-4-carboxamide
CID 176672776
ethane;N-[(5-fluoro-3-pyridinyl)methyl]-5-(4-methoxy-3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 176672630
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458
5-(4-acetylphenyl)-N-[3-(5-fluoro-3-pyridinyl)propyl]-1,3-oxazole-4-carboxamide
CID 176672689
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503068
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
1-[3-(3,4-dimethoxyphenyl)propyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111228743
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-fluorophenyl)propyl]-2-methylguanidine
CID 111836217

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide (CID 176672711) is ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide is CC.COc1ccc(C2=C(C(=O)NCCCc3cncc(F)c3)NCC=C2)cc1C.
What is the InChIKey of ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is MBOHMZYDAQIGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2.C2H6/c1-15-11-17(7-8-20(15)28-2)19-6-4-9-25-21(19)22(27)26-10-3-5-16-12-18(23)14-24-13-16;1-2/h4,6-8,11-14,25H,3,5,9-10H2,1-2H3,(H,26,27);1-2H3.
What are the key properties of ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide?
ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-(5-fluoro-3-pyridinyl)propyl]-5-(4-methoxy-3-methylphenyl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 176672711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).