N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide

C18H17F3N6O2 — CID 76642993

IUPACN-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CO)cc(-n3nnnc3C(F)(F)F)c2)nc1
InChIInChI=1S/C18H17F3N6O2/c1-10-3-4-15(22-8-10)12-5-13(16(29)23-11(2)9-28)7-14(6-12)27-17(18(19,20)21)24-25-26-27/h3-8,11,28H,9H2,1-2H3,(H,23,29)
InChIKeyYCSZALCLPUXOML-UHFFFAOYSA-N
MW406.37 g/mol
LogP2.16
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide

N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide (PubChem CID 76642993) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
PubChem CID76642993
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC NameN-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CO)cc(-n3nnnc3C(F)(F)F)c2)nc1
InChIInChI=1S/C18H17F3N6O2/c1-10-3-4-15(22-8-10)12-5-13(16(29)23-11(2)9-28)7-14(6-12)27-17(18(19,20)21)24-25-26-27/h3-8,11,28H,9H2,1-2H3,(H,23,29)
InChIKeyYCSZALCLPUXOML-UHFFFAOYSA-N
XLogP2.16
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 42642279
3-[5-(1,1-difluoroethyl)tetrazol-1-yl]-N-[(2S)-2-hydroxypropyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 90329535
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 69004377
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76643050
3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 76601235
3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 44600198
N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide
CID 67511647
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
CID 75214758
3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 76643046
3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138255
3-(4-cyano-3-pyridinyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138550
3-(4-cyano-3-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 75096326

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide (CID 76642993) is N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide is Cc1ccc(-c2cc(C(=O)NC(C)CO)cc(-n3nnnc3C(F)(F)F)c2)nc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide?
The InChIKey is YCSZALCLPUXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c1-10-3-4-15(22-8-10)12-5-13(16(29)23-11(2)9-28)7-14(6-12)27-17(18(19,20)21)24-25-26-27/h3-8,11,28H,9H2,1-2H3,(H,23,29).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide?
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide has a molecular weight of 406.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide is sourced from PubChem (CID 76642993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).