2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide

C17H17FN6O2 — CID 118780799

IUPAC2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESNCCOc1ccc(F)cc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C17H17FN6O2/c18-13-3-4-15(26-7-5-19)14(8-13)17(25)22-9-12-2-1-6-21-16(12)24-11-20-10-23-24/h1-4,6,8,10-11H,5,7,9,19H2,(H,22,25)
InChIKeyPNDBGRCBKJTQJX-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.07
Rot. Bonds7

About 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide

2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 118780799) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID118780799
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESNCCOc1ccc(F)cc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C17H17FN6O2/c18-13-3-4-15(26-7-5-19)14(8-13)17(25)22-9-12-2-1-6-21-16(12)24-11-20-10-23-24/h1-4,6,8,10-11H,5,7,9,19H2,(H,22,25)
InChIKeyPNDBGRCBKJTQJX-UHFFFAOYSA-N
XLogP1.07
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide with MolForge

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Related Compounds

7-fluoro-2,3-dimethyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoxaline-5-carboxamide
CID 47057006
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide
CID 55720325
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55720371
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
CID 47036764
1-[(2,5-dimethoxyphenyl)methyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55747504
4-methoxy-3-nitro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721166
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
2-(4-bromophenyl)sulfanyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55720549
1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 55961451

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide (CID 118780799) is 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide is NCCOc1ccc(F)cc1C(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is PNDBGRCBKJTQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-13-3-4-15(26-7-5-19)14(8-13)17(25)22-9-12-2-1-6-21-16(12)24-11-20-10-23-24/h1-4,6,8,10-11H,5,7,9,19H2,(H,22,25).
What are the key properties of 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 356.36 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 118780799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).