N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

C22H23FN8O — CID 72700363

IUPACN-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)Cn1cc(-c2ccc(F)cn2)nn1
InChIInChI=1S/C22H23FN8O/c1-4-30(22(32)18-11-15(2)5-8-21(18)31-25-9-10-26-31)16(3)13-29-14-20(27-28-29)19-7-6-17(23)12-24-19/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1
InChIKeyYLBYPMTXVWAXOX-INIZCTEOSA-N
MW434.48 g/mol
LogP2.92
Rot. Bonds7

About N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide

N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 72700363) has the molecular formula C22H23FN8O and a molecular weight of 434.48 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID72700363
Molecular FormulaC22H23FN8O
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC NameN-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)Cn1cc(-c2ccc(F)cn2)nn1
InChIInChI=1S/C22H23FN8O/c1-4-30(22(32)18-11-15(2)5-8-21(18)31-25-9-10-26-31)16(3)13-29-14-20(27-28-29)19-7-6-17(23)12-24-19/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1
InChIKeyYLBYPMTXVWAXOX-INIZCTEOSA-N
XLogP2.92
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 137419776
CID 137419776
CID 53316847
CID 53316847
CID 11175501
CID 11175501
CID 57382333
CID 57382333
CID 24965286
CID 24965286
CID 57389484
CID 57389484
CID 57389725
CID 57389725
CID 57389971
CID 57389971
CID 72699950
CID 72699950
CID 72700543
CID 72700543
CID 137646593
CID 137646593
CID 156011286
CID 156011286

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (CID 72700363) is N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)Cn1cc(-c2ccc(F)cn2)nn1.
What is the InChIKey of N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is YLBYPMTXVWAXOX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23FN8O/c1-4-30(22(32)18-11-15(2)5-8-21(18)31-25-9-10-26-31)16(3)13-29-14-20(27-28-29)19-7-6-17(23)12-24-19/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 434.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)triazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 72700363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).