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

C18H20N6O — CID 56836709

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ncn(Cc2ccccc2)n1
InChIInChI=1S/C18H20N6O/c1-12-8-16(19)22-13(2)15(12)9-20-18(25)17-21-11-24(23-17)10-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,19,22)(H,20,25)
InChIKeyVDVDOLCDTIHJHO-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.85
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide (PubChem CID 56836709) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide
PubChem CID56836709
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ncn(Cc2ccccc2)n1
InChIInChI=1S/C18H20N6O/c1-12-8-16(19)22-13(2)15(12)9-20-18(25)17-21-11-24(23-17)10-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,19,22)(H,20,25)
InChIKeyVDVDOLCDTIHJHO-UHFFFAOYSA-N
XLogP1.85
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide (CID 56836709) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ncn(Cc2ccccc2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide?
The InChIKey is VDVDOLCDTIHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-8-16(19)22-13(2)15(12)9-20-18(25)17-21-11-24(23-17)10-14-6-4-3-5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,19,22)(H,20,25).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-1,2,4-triazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.85, 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-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 56836709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).