(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide

C18H19N5O2 — CID 124938361

IUPAC(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
SMILESCc1ncccc1NC(=O)[C@H](C)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C18H19N5O2/c1-13-17(9-6-10-19-13)20-18(24)14(2)23-11-15(21-22-23)12-25-16-7-4-3-5-8-16/h3-11,14H,12H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyNUJPWYAIFAPYJF-AWEZNQCLSA-N
MW337.38 g/mol
LogP2.76
Rot. Bonds6

About (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide

(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide (PubChem CID 124938361) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
PubChem CID124938361
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
SMILESCc1ncccc1NC(=O)[C@H](C)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C18H19N5O2/c1-13-17(9-6-10-19-13)20-18(24)14(2)23-11-15(21-22-23)12-25-16-7-4-3-5-8-16/h3-11,14H,12H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyNUJPWYAIFAPYJF-AWEZNQCLSA-N
XLogP2.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938362
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
CID 124938277
(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938174
(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 124938453
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938273
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
CID 82202035
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 124938470
(2R)-1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(phenoxymethyl)triazol-1-yl]propan-1-one
CID 124938551
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043382
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide (CID 124938361) is (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide is Cc1ncccc1NC(=O)[C@H](C)n1cc(COc2ccccc2)nn1.
What is the InChIKey of (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
The InChIKey is NUJPWYAIFAPYJF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-17(9-6-10-19-13)20-18(24)14(2)23-11-15(21-22-23)12-25-16-7-4-3-5-8-16/h3-11,14H,12H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide?
(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 124938361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).