6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide

C23H21F2N3O4 — CID 71556776

IUPAC6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(OCc2cc(F)ccc2F)cc1C(=O)Nc1ccc(C(N)=O)cn1
InChIInChI=1S/C23H21F2N3O4/c1-13(2)32-20-7-5-17(31-12-15-9-16(24)4-6-19(15)25)10-18(20)23(30)28-21-8-3-14(11-27-21)22(26)29/h3-11,13H,12H2,1-2H3,(H2,26,29)(H,27,28,30)
InChIKeyBYURSHHRLKWCBM-UHFFFAOYSA-N
MW441.43 g/mol
LogP4.08
Rot. Bonds8

About 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide

6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide (PubChem CID 71556776) has the molecular formula C23H21F2N3O4 and a molecular weight of 441.43 g/mol. Its IUPAC name is 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide
PubChem CID71556776
Molecular FormulaC23H21F2N3O4
Molecular Weight441.43 g/mol
Exact Mass441.15
IUPAC Name6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(OCc2cc(F)ccc2F)cc1C(=O)Nc1ccc(C(N)=O)cn1
InChIInChI=1S/C23H21F2N3O4/c1-13(2)32-20-7-5-17(31-12-15-9-16(24)4-6-19(15)25)10-18(20)23(30)28-21-8-3-14(11-27-21)22(26)29/h3-11,13H,12H2,1-2H3,(H2,26,29)(H,27,28,30)
InChIKeyBYURSHHRLKWCBM-UHFFFAOYSA-N
XLogP4.08
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
CID 141216527
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141305036
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 71556639
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide (CID 71556776) is 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide is CC(C)Oc1ccc(OCc2cc(F)ccc2F)cc1C(=O)Nc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide?
The InChIKey is BYURSHHRLKWCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O4/c1-13(2)32-20-7-5-17(31-12-15-9-16(24)4-6-19(15)25)10-18(20)23(30)28-21-8-3-14(11-27-21)22(26)29/h3-11,13H,12H2,1-2H3,(H2,26,29)(H,27,28,30).
What are the key properties of 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide?
6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide has a molecular weight of 441.43 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 71556776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).