N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

C20H23N5O — CID 56909120

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3C)nn2)nc1
InChIInChI=1S/C20H23N5O/c1-4-16-9-10-18(21-11-16)13-24(3)20(26)19-14-25(23-22-19)12-17-8-6-5-7-15(17)2/h5-11,14H,4,12-13H2,1-3H3
InChIKeyUAIWAUSSNSFTID-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.86
Rot. Bonds6

About N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 56909120) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID56909120
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3C)nn2)nc1
InChIInChI=1S/C20H23N5O/c1-4-16-9-10-18(21-11-16)13-24(3)20(26)19-14-25(23-22-19)12-17-8-6-5-7-15(17)2/h5-11,14H,4,12-13H2,1-3H3
InChIKeyUAIWAUSSNSFTID-UHFFFAOYSA-N
XLogP2.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687
N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
CID 56878008
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 56752041
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77081692
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
N-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide
CID 50948874
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 77094882
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
1-[(2-methylphenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 25282296
N-methyl-1-(naphthalen-1-ylmethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 42594224
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 56911700
N-[(4-chlorophenyl)methyl]-1-ethyl-N-methyltriazole-4-carboxamide
CID 138027536

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide (CID 56909120) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is CCc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3C)nn2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is UAIWAUSSNSFTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-16-9-10-18(21-11-16)13-24(3)20(26)19-14-25(23-22-19)12-17-8-6-5-7-15(17)2/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 56909120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).