N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide

C19H20F3N3O2 — CID 156609782

IUPACN-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1)C(N)=O
InChIInChI=1S/C19H20F3N3O2/c1-11(2)10-15(17(23)26)25-18(27)13-8-6-12(7-9-13)14-4-3-5-16(24-14)19(20,21)22/h3-9,11,15H,10H2,1-2H3,(H2,23,26)(H,25,27)
InChIKeyPNEUHRMHMXRVND-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.40
Rot. Bonds6

About N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide

N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 156609782) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID156609782
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1)C(N)=O
InChIInChI=1S/C19H20F3N3O2/c1-11(2)10-15(17(23)26)25-18(27)13-8-6-12(7-9-13)14-4-3-5-16(24-14)19(20,21)22/h3-9,11,15H,10H2,1-2H3,(H2,23,26)(H,25,27)
InChIKeyPNEUHRMHMXRVND-UHFFFAOYSA-N
XLogP3.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide
CID 173218917
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
3-amino-N-[(3S)-5-methyl-2-oxohexan-3-yl]benzamide
CID 163583328
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
methyl 2-[(4-iodobenzoyl)amino]-4-methylpentanoate
CID 43404335
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
CID 71856841
N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
4-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 102510844

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide (CID 156609782) is N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide is CC(C)CC(NC(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is PNEUHRMHMXRVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11(2)10-15(17(23)26)25-18(27)13-8-6-12(7-9-13)14-4-3-5-16(24-14)19(20,21)22/h3-9,11,15H,10H2,1-2H3,(H2,23,26)(H,25,27).
What are the key properties of N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 379.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 156609782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).