N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

C21H17F3N4O3 — CID 140671075

IUPACN-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESO=C(NOC(Cc1ccnc(NC(=O)c2ccccc2)c1)C(F)(F)F)c1cccnc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)17(31-28-20(30)16-7-4-9-25-13-16)11-14-8-10-26-18(12-14)27-19(29)15-5-2-1-3-6-15/h1-10,12-13,17H,11H2,(H,28,30)(H,26,27,29)
InChIKeyLQIHZNVSNWVCEA-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.56
Rot. Bonds7

About N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (PubChem CID 140671075) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
PubChem CID140671075
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC NameN-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESO=C(NOC(Cc1ccnc(NC(=O)c2ccccc2)c1)C(F)(F)F)c1cccnc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)17(31-28-20(30)16-7-4-9-25-13-16)11-14-8-10-26-18(12-14)27-19(29)15-5-2-1-3-6-15/h1-10,12-13,17H,11H2,(H,28,30)(H,26,27,29)
InChIKeyLQIHZNVSNWVCEA-UHFFFAOYSA-N
XLogP3.56
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide with MolForge

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Related Compounds

ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
N-(4-ethyl-2-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59781573
N-[4-(difluoromethyl)-2-pyridinyl]benzamide
CID 118627561
N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
CID 131941265
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride
CID 3028390
nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide
CID 139146011
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
N-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 67153788
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 67819049
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
imidazo[1,5-a]pyrazine;N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 157412726

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (CID 140671075) is N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is O=C(NOC(Cc1ccnc(NC(=O)c2ccccc2)c1)C(F)(F)F)c1cccnc1.
What is the InChIKey of N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is LQIHZNVSNWVCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)17(31-28-20(30)16-7-4-9-25-13-16)11-14-8-10-26-18(12-14)27-19(29)15-5-2-1-3-6-15/h1-10,12-13,17H,11H2,(H,28,30)(H,26,27,29).
What are the key properties of N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-benzamido-4-pyridinyl)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 140671075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).