2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide

C24H22F3N7O — CID 15658012

IUPAC2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(=O)C(F)(F)F
InChIInChI=1S/C24H22F3N7O/c1-2-14-34(22-20(8-5-13-28-22)29-23(35)24(25,26)27)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-30-32-33-31-21/h3-13H,2,14-15H2,1H3,(H,29,35)(H,30,31,32,33)
InChIKeyMRHPZMOMZXRMCH-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.85
Rot. Bonds8

About 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide

2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide (PubChem CID 15658012) has the molecular formula C24H22F3N7O and a molecular weight of 481.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide
PubChem CID15658012
Molecular FormulaC24H22F3N7O
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC Name2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(=O)C(F)(F)F
InChIInChI=1S/C24H22F3N7O/c1-2-14-34(22-20(8-5-13-28-22)29-23(35)24(25,26)27)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-30-32-33-31-21/h3-13H,2,14-15H2,1H3,(H,29,35)(H,30,31,32,33)
InChIKeyMRHPZMOMZXRMCH-UHFFFAOYSA-N
XLogP4.85
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide (CID 15658012) is 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide?
The InChIKey is MRHPZMOMZXRMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O/c1-2-14-34(22-20(8-5-13-28-22)29-23(35)24(25,26)27)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-30-32-33-31-21/h3-13H,2,14-15H2,1H3,(H,29,35)(H,30,31,32,33).
What are the key properties of 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide?
2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide has a molecular weight of 481.48 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 15658012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).