6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide

C23H20FN3O5 — CID 67486999

IUPAC6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(C)(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C23H20FN3O5/c1-23(2,32-17-8-9-18-19(11-17)31-13-30-18)22(29)27-20-10-3-14(12-25-20)21(28)26-16-6-4-15(24)5-7-16/h3-12H,13H2,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyDGSCVZWGHTZZFP-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.00
Rot. Bonds6

About 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide

6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67486999) has the molecular formula C23H20FN3O5 and a molecular weight of 437.43 g/mol. Its IUPAC name is 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID67486999
Molecular FormulaC23H20FN3O5
Molecular Weight437.43 g/mol
Exact Mass437.14
IUPAC Name6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(C)(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C23H20FN3O5/c1-23(2,32-17-8-9-18-19(11-17)31-13-30-18)22(29)27-20-10-3-14(12-25-20)21(28)26-16-6-4-15(24)5-7-16/h3-12H,13H2,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyDGSCVZWGHTZZFP-UHFFFAOYSA-N
XLogP4.00
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

tert-butyl N-[5-(1,3-benzodioxol-5-ylcarbamoyl)-2-pyridinyl]carbamate
CID 166597114
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
2-(1,3-benzodioxol-5-yloxy)-N-[5-chloro-4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 87418574
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-fluoroanilino)pyridine-3-carboxamide
CID 109163283
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 28902756
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268567
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide (CID 67486999) is 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide is CC(C)(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is DGSCVZWGHTZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5/c1-23(2,32-17-8-9-18-19(11-17)31-13-30-18)22(29)27-20-10-3-14(12-25-20)21(28)26-16-6-4-15(24)5-7-16/h3-12H,13H2,1-2H3,(H,26,28)(H,25,27,29).
What are the key properties of 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide?
6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1,3-benzodioxol-5-yloxy)-2-methylpropanoyl]amino]-N-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67486999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).