N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide

C19H21N5O2 — CID 131936937

IUPACN-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCOc1ccc(Cc2nc([C@H](C)NC(C)=O)n(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-13(21-14(2)25)19-22-18(12-15-4-6-17(26-3)7-5-15)23-24(19)16-8-10-20-11-9-16/h4-11,13H,12H2,1-3H3,(H,21,25)/t13-/m0/s1
InChIKeySVRPTULDKGCWPO-ZDUSSCGKSA-N
MW351.41 g/mol
LogP2.46
Rot. Bonds6

About N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide

N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 131936937) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide
PubChem CID131936937
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCOc1ccc(Cc2nc([C@H](C)NC(C)=O)n(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-13(21-14(2)25)19-22-18(12-15-4-6-17(26-3)7-5-15)23-24(19)16-8-10-20-11-9-16/h4-11,13H,12H2,1-3H3,(H,21,25)/t13-/m0/s1
InChIKeySVRPTULDKGCWPO-ZDUSSCGKSA-N
XLogP2.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide with MolForge

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Related Compounds

N-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-(oxan-4-yl)methyl]acetamide
CID 128994619
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82566873
(2S,3S)-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 120517390
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 94816754
1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone
CID 134909719
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783782
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide (CID 131936937) is N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide is COc1ccc(Cc2nc([C@H](C)NC(C)=O)n(-c3ccncc3)n2)cc1.
What is the InChIKey of N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide?
The InChIKey is SVRPTULDKGCWPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(21-14(2)25)19-22-18(12-15-4-6-17(26-3)7-5-15)23-24(19)16-8-10-20-11-9-16/h4-11,13H,12H2,1-3H3,(H,21,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide?
N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 131936937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).