2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide

C22H25N5O2 — CID 164628989

IUPAC2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCC3CCOCC3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C22H25N5O2/c1-27-15-21(25-26-27)20-13-18(22(28)23-14-17-7-9-29-10-8-17)12-19(24-20)11-16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,23,28)
InChIKeyXWCQZFHNCBKPPF-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.62
Rot. Bonds6

About 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide

2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 164628989) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
PubChem CID164628989
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCC3CCOCC3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C22H25N5O2/c1-27-15-21(25-26-27)20-13-18(22(28)23-14-17-7-9-29-10-8-17)12-19(24-20)11-16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,23,28)
InChIKeyXWCQZFHNCBKPPF-UHFFFAOYSA-N
XLogP2.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide (CID 164628989) is 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)NCC3CCOCC3)cc(Cc3ccccc3)n2)nn1.
What is the InChIKey of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is XWCQZFHNCBKPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27-15-21(25-26-27)20-13-18(22(28)23-14-17-7-9-29-10-8-17)12-19(24-20)11-16-5-3-2-4-6-16/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,23,28).
What are the key properties of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide?
2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 164628989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).