3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide

C18H18F3N3O2 — CID 125179850

IUPAC3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESCC(=O)NCc1ccc(-c2cccc(C(=O)N[C@@H](C)C(F)(F)F)c2)nc1
InChIInChI=1S/C18H18F3N3O2/c1-11(18(19,20)21)24-17(26)15-5-3-4-14(8-15)16-7-6-13(10-23-16)9-22-12(2)25/h3-8,10-11H,9H2,1-2H3,(H,22,25)(H,24,26)/t11-/m0/s1
InChIKeyVWJCYSHWDNQATD-NSHDSACASA-N
MW365.36 g/mol
LogP3.07
Rot. Bonds5

About 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide

3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide (PubChem CID 125179850) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide.

Molecular Properties

Compound Name3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
PubChem CID125179850
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
SMILESCC(=O)NCc1ccc(-c2cccc(C(=O)N[C@@H](C)C(F)(F)F)c2)nc1
InChIInChI=1S/C18H18F3N3O2/c1-11(18(19,20)21)24-17(26)15-5-3-4-14(8-15)16-7-6-13(10-23-16)9-22-12(2)25/h3-8,10-11H,9H2,1-2H3,(H,22,25)(H,24,26)/t11-/m0/s1
InChIKeyVWJCYSHWDNQATD-NSHDSACASA-N
XLogP3.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
N-[[6-[3-(1-oxa-7-azaspiro[3.5]nonane-7-carbonyl)phenyl]-3-pyridinyl]methyl]acetamide
CID 118768623
2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70300494
5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66632627
2,2-dimethylpropane;3-(5-ethyl-2-pyridinyl)-N-methylbenzamide;prop-1-ene
CID 143772057
2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91816099
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
N-propan-2-yl-3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyrazol-3-yl]benzamide
CID 53324197
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide
CID 110714398
3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105290

Frequently Asked Questions

What is the IUPAC name of 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide?
The IUPAC name of 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide (CID 125179850) is 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide.
What is the SMILES notation for 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide?
The canonical SMILES for 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide is CC(=O)NCc1ccc(-c2cccc(C(=O)N[C@@H](C)C(F)(F)F)c2)nc1.
What is the InChIKey of 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide?
The InChIKey is VWJCYSHWDNQATD-NSHDSACASA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11(18(19,20)21)24-17(26)15-5-3-4-14(8-15)16-7-6-13(10-23-16)9-22-12(2)25/h3-8,10-11H,9H2,1-2H3,(H,22,25)(H,24,26)/t11-/m0/s1.
What are the key properties of 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide?
3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide has a molecular weight of 365.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide is sourced from PubChem (CID 125179850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).