3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C12H12ClF3N6O — CID 146139841

IUPAC3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(CN(C)C(=O)c1ncc(C(F)(F)F)cc1Cl)c1nn[nH]n1
InChIInChI=1S/C12H12ClF3N6O/c1-6(10-18-20-21-19-10)5-22(2)11(23)9-8(13)3-7(4-17-9)12(14,15)16/h3-4,6H,5H2,1-2H3,(H,18,19,20,21)
InChIKeyZLVVFBYMWLSDKQ-UHFFFAOYSA-N
MW348.72 g/mol
LogP2.14
Rot. Bonds4

About 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 146139841) has the molecular formula C12H12ClF3N6O and a molecular weight of 348.72 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID146139841
Molecular FormulaC12H12ClF3N6O
Molecular Weight348.72 g/mol
Exact Mass348.07
IUPAC Name3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(CN(C)C(=O)c1ncc(C(F)(F)F)cc1Cl)c1nn[nH]n1
InChIInChI=1S/C12H12ClF3N6O/c1-6(10-18-20-21-19-10)5-22(2)11(23)9-8(13)3-7(4-17-9)12(14,15)16/h3-4,6H,5H2,1-2H3,(H,18,19,20,21)
InChIKeyZLVVFBYMWLSDKQ-UHFFFAOYSA-N
XLogP2.14
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99605001
2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
CID 99605218
3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138024027
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
CID 99604817
N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 126799440
3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
CID 110208573
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 99606683
3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
CID 154753075
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 99605343

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 146139841) is 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CC(CN(C)C(=O)c1ncc(C(F)(F)F)cc1Cl)c1nn[nH]n1.
What is the InChIKey of 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ZLVVFBYMWLSDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N6O/c1-6(10-18-20-21-19-10)5-22(2)11(23)9-8(13)3-7(4-17-9)12(14,15)16/h3-4,6H,5H2,1-2H3,(H,18,19,20,21).
What are the key properties of 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 348.72 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146139841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).