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

C19H22N6O — CID 167947605

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
SMILESCc1cc(-c2cn(CC(=O)NCc3ccc(N(C)C)cc3)nn2)ccn1
InChIInChI=1S/C19H22N6O/c1-14-10-16(8-9-20-14)18-12-25(23-22-18)13-19(26)21-11-15-4-6-17(7-5-15)24(2)3/h4-10,12H,11,13H2,1-3H3,(H,21,26)
InChIKeyAMLZTIPMYQIPOO-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.03
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide (PubChem CID 167947605) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
PubChem CID167947605
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
SMILESCc1cc(-c2cn(CC(=O)NCc3ccc(N(C)C)cc3)nn2)ccn1
InChIInChI=1S/C19H22N6O/c1-14-10-16(8-9-20-14)18-12-25(23-22-18)13-19(26)21-11-15-4-6-17(7-5-15)24(2)3/h4-10,12H,11,13H2,1-3H3,(H,21,26)
InChIKeyAMLZTIPMYQIPOO-UHFFFAOYSA-N
XLogP2.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
CID 167773057
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
N-methyl-2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetamide
CID 121497314
3-cyclopentyl-N-[2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]ethyl]propanamide
CID 146153291
N-[[4-(dimethylamino)phenyl]methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 47078545
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
3,3-dimethyl-N-[3-[4-(2-methyl-4-pyridinyl)triazol-1-yl]propyl]oxetane-2-carboxamide
CID 146153257
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304258
4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide
CID 87527968
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide (CID 167947605) is N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide is Cc1cc(-c2cn(CC(=O)NCc3ccc(N(C)C)cc3)nn2)ccn1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide?
The InChIKey is AMLZTIPMYQIPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-10-16(8-9-20-14)18-12-25(23-22-18)13-19(26)21-11-15-4-6-17(7-5-15)24(2)3/h4-10,12H,11,13H2,1-3H3,(H,21,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide is sourced from PubChem (CID 167947605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).