(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

C16H13F2N5O2 — CID 94812811

IUPAC(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H13F2N5O2/c1-10(25-12-3-4-13(17)14(18)6-12)16(24)22-11-2-5-15(20-7-11)23-9-19-8-21-23/h2-10H,1H3,(H,22,24)/t10-/m0/s1
InChIKeyWAJCTFHCVRVGNS-JTQLQIEISA-N
MW345.31 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 94812811) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
PubChem CID94812811
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESC[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H13F2N5O2/c1-10(25-12-3-4-13(17)14(18)6-12)16(24)22-11-2-5-15(20-7-11)23-9-19-8-21-23/h2-10H,1H3,(H,22,24)/t10-/m0/s1
InChIKeyWAJCTFHCVRVGNS-JTQLQIEISA-N
XLogP2.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide with MolForge

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Related Compounds

3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 134040349
1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 75461242
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CID 95323379
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 94795866
2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 55608786
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167
2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 42955508
(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 36518284

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (CID 94812811) is (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is WAJCTFHCVRVGNS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13F2N5O2/c1-10(25-12-3-4-13(17)14(18)6-12)16(24)22-11-2-5-15(20-7-11)23-9-19-8-21-23/h2-10H,1H3,(H,22,24)/t10-/m0/s1.
What are the key properties of (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 345.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 94812811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).