2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide

C16H16F3N3O2 — CID 28902871

IUPAC2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
SMILESCC(C)(CO)Nc1ccc(NC(=O)c2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C16H16F3N3O2/c1-16(2,8-23)22-12-6-3-9(7-20-12)21-15(24)10-4-5-11(17)14(19)13(10)18/h3-7,23H,8H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyRSVRPMWPQQIZTF-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.93
Rot. Bonds5

About 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide

2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide (PubChem CID 28902871) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
PubChem CID28902871
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
SMILESCC(C)(CO)Nc1ccc(NC(=O)c2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C16H16F3N3O2/c1-16(2,8-23)22-12-6-3-9(7-20-12)21-15(24)10-4-5-11(17)14(19)13(10)18/h3-7,23H,8H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyRSVRPMWPQQIZTF-UHFFFAOYSA-N
XLogP2.93
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]acetamide
CID 28902556
4-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902646
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 28902569
4-[[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178208
3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902642
2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011352
N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113033399
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 28902756
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113037612
2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980375
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide (CID 28902871) is 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide is CC(C)(CO)Nc1ccc(NC(=O)c2ccc(F)c(F)c2F)cn1.
What is the InChIKey of 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
The InChIKey is RSVRPMWPQQIZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-16(2,8-23)22-12-6-3-9(7-20-12)21-15(24)10-4-5-11(17)14(19)13(10)18/h3-7,23H,8H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide?
2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide has a molecular weight of 339.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 28902871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).