3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide

C19H20FN5O2 — CID 125166274

IUPAC3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCOCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2ccncc2F)c1
InChIInChI=1S/C19H20FN5O2/c1-13(18-24-22-12-25(18)8-9-27-2)23-19(26)15-5-3-4-14(10-15)16-6-7-21-11-17(16)20/h3-7,10-13H,8-9H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKeyBELACJKATLALPU-CYBMUJFWSA-N
MW369.40 g/mol
LogP2.62
Rot. Bonds7

About 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide

3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide (PubChem CID 125166274) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
PubChem CID125166274
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCOCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2ccncc2F)c1
InChIInChI=1S/C19H20FN5O2/c1-13(18-24-22-12-25(18)8-9-27-2)23-19(26)15-5-3-4-14(10-15)16-6-7-21-11-17(16)20/h3-7,10-13H,8-9H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKeyBELACJKATLALPU-CYBMUJFWSA-N
XLogP2.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide with MolForge

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Related Compounds

3-(5-chloro-2-pyridinyl)-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 118767326
6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
CID 125170254
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide
CID 119072619
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99958080
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 125165323
1-(difluoromethyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazole-3-carboxamide
CID 156584689
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 131893212
3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 118787820
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 126433181

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide (CID 125166274) is 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide is COCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2ccncc2F)c1.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The InChIKey is BELACJKATLALPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-13(18-24-22-12-25(18)8-9-27-2)23-19(26)15-5-3-4-14(10-15)16-6-7-21-11-17(16)20/h3-7,10-13H,8-9H2,1-2H3,(H,23,26)/t13-/m1/s1.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide has a molecular weight of 369.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 125166274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).