3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide

C16H13F3N6O — CID 99946998

IUPAC3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
SMILESCc1nnnn1-c1cccc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)c1
InChIInChI=1S/C16H13F3N6O/c1-10-22-23-24-25(10)13-6-2-4-11(8-13)15(26)21-14(16(17,18)19)12-5-3-7-20-9-12/h2-9,14H,1H3,(H,21,26)/t14-/m1/s1
InChIKeyBSSOUZGKQSJZGJ-CQSZACIVSA-N
MW362.32 g/mol
LogP2.40
Rot. Bonds4

About 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide

3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide (PubChem CID 99946998) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
PubChem CID99946998
Molecular FormulaC16H13F3N6O
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC Name3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide
SMILESCc1nnnn1-c1cccc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)c1
InChIInChI=1S/C16H13F3N6O/c1-10-22-23-24-25(10)13-6-2-4-11(8-13)15(26)21-14(16(17,18)19)12-5-3-7-20-9-12/h2-9,14H,1H3,(H,21,26)/t14-/m1/s1
InChIKeyBSSOUZGKQSJZGJ-CQSZACIVSA-N
XLogP2.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide with MolForge

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Related Compounds

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
CID 74232043
4-(1,2,4-triazol-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)benzamide
CID 77091530
N-[(2S)-4-(2-chlorophenyl)butan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 92614116
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131945875
N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
CID 56762738
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 96558182
1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine
CID 43829237
3-pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 74231438
4-ethyl-2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 99946797

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide (CID 99946998) is 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide is Cc1nnnn1-c1cccc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)c1.
What is the InChIKey of 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide?
The InChIKey is BSSOUZGKQSJZGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13F3N6O/c1-10-22-23-24-25(10)13-6-2-4-11(8-13)15(26)21-14(16(17,18)19)12-5-3-7-20-9-12/h2-9,14H,1H3,(H,21,26)/t14-/m1/s1.
What are the key properties of 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide?
3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide has a molecular weight of 362.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyltetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 99946998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).