N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide

C19H21N5O2 — CID 167773057

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
SMILESCOCc1cccc(CNC(=O)Cn2cc(-c3ccnc(C)c3)nn2)c1
InChIInChI=1S/C19H21N5O2/c1-14-8-17(6-7-20-14)18-11-24(23-22-18)12-19(25)21-10-15-4-3-5-16(9-15)13-26-2/h3-9,11H,10,12-13H2,1-2H3,(H,21,25)
InChIKeyLJECLCSVFXUYBQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.11
Rot. Bonds7

About N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide

N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide (PubChem CID 167773057) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
PubChem CID167773057
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
SMILESCOCc1cccc(CNC(=O)Cn2cc(-c3ccnc(C)c3)nn2)c1
InChIInChI=1S/C19H21N5O2/c1-14-8-17(6-7-20-14)18-11-24(23-22-18)12-19(25)21-10-15-4-3-5-16(9-15)13-26-2/h3-9,11H,10,12-13H2,1-2H3,(H,21,25)
InChIKeyLJECLCSVFXUYBQ-UHFFFAOYSA-N
XLogP2.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
CID 167947605
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290374
1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289938
2-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 146103962
2-[4-(3-aminophenyl)triazol-1-yl]-N-[(2-chloro-6-methoxyphenyl)methyl]acetamide
CID 167799266
1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796668

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide (CID 167773057) is N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide is COCc1cccc(CNC(=O)Cn2cc(-c3ccnc(C)c3)nn2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide?
The InChIKey is LJECLCSVFXUYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-8-17(6-7-20-14)18-11-24(23-22-18)12-19(25)21-10-15-4-3-5-16(9-15)13-26-2/h3-9,11H,10,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide?
N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide is sourced from PubChem (CID 167773057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).