N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide

C23H21F2N3O3 — CID 11407631

IUPACN-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide
SMILESCCCCOc1cc(NC(=O)c2ccccc2)nc(N)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H21F2N3O3/c1-2-3-12-31-17-13-18(28-23(30)14-8-5-4-6-9-14)27-22(26)20(17)21(29)19-15(24)10-7-11-16(19)25/h4-11,13H,2-3,12H2,1H3,(H3,26,27,28,30)
InChIKeyIMNSBJWOSQQBHB-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.60
Rot. Bonds8

About N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide

N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide (PubChem CID 11407631) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide
PubChem CID11407631
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide
SMILESCCCCOc1cc(NC(=O)c2ccccc2)nc(N)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C23H21F2N3O3/c1-2-3-12-31-17-13-18(28-23(30)14-8-5-4-6-9-14)27-22(26)20(17)21(29)19-15(24)10-7-11-16(19)25/h4-11,13H,2-3,12H2,1H3,(H3,26,27,28,30)
InChIKeyIMNSBJWOSQQBHB-UHFFFAOYSA-N
XLogP4.60
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Acyl-2,6-diaminopyridine deriv. 10
CID 5330846
3-Acyl-2,6-diaminopyridine deriv. 11
CID 5330847
3-Acyl-2,6-diaminopyridine deriv. 3f
CID 5330845
2-methoxy-N-[6-[(2-methoxybenzoyl)amino]pyridin-2-yl]benzamide
CID 1019237
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]pyridin-2-yl]benzamide
CID 71111280
N,N'-2,6-pyridinediylbis(2-ethoxybenzamide)
CID 1008983
2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-pyridinyl)amino]propan-2-yl]benzamide
CID 2729351
N-[6-(2-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727899
N-[6-(3-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727900
N-[6-(4-fluoroanilino)-2-pyridinyl]-4-propoxybenzamide
CID 71727901
2-ethoxy-N-(6-methylpyridin-2-yl)benzamide
CID 871257
2-[(2-fluorobenzyl)oxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 973480

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide (CID 11407631) is N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide is CCCCOc1cc(NC(=O)c2ccccc2)nc(N)c1C(=O)c1c(F)cccc1F.
What is the InChIKey of N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide?
The InChIKey is IMNSBJWOSQQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-2-3-12-31-17-13-18(28-23(30)14-8-5-4-6-9-14)27-22(26)20(17)21(29)19-15(24)10-7-11-16(19)25/h4-11,13H,2-3,12H2,1H3,(H3,26,27,28,30).
What are the key properties of N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide?
N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide has a molecular weight of 425.44 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-4-butoxy-5-(2,6-difluorobenzoyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11407631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).