N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide

C19H22N6O — CID 66723765

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nnn(Cc2ccccc2)c1C
InChIInChI=1S/C19H22N6O/c1-12-9-17(20)22-13(2)16(12)10-21-19(26)18-14(3)25(24-23-18)11-15-7-5-4-6-8-15/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,26)
InChIKeyFEWIUHKNNUCBBN-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.16
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide (PubChem CID 66723765) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
PubChem CID66723765
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1nnn(Cc2ccccc2)c1C
InChIInChI=1S/C19H22N6O/c1-12-9-17(20)22-13(2)16(12)10-21-19(26)18-14(3)25(24-23-18)11-15-7-5-4-6-8-15/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,26)
InChIKeyFEWIUHKNNUCBBN-UHFFFAOYSA-N
XLogP2.16
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-5-methyltriazol-4-yl)propan-1-one
CID 58081295
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(5-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081254
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide
CID 58081313
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
1-benzyl-N-[3-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603124
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-benzyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836332
4-[(1-benzyl-5-methyltriazole-4-carbonyl)amino]phthalic acid
CID 67381998
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 56836486
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid
CID 159164985
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide (CID 66723765) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1nnn(Cc2ccccc2)c1C.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide?
The InChIKey is FEWIUHKNNUCBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-9-17(20)22-13(2)16(12)10-21-19(26)18-14(3)25(24-23-18)11-15-7-5-4-6-8-15/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,26).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 66723765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).