N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C17H18N6O2 — CID 51091815

IUPACN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cn1
InChIInChI=1S/C17H18N6O2/c1-12(2)25-16-4-3-13(8-20-16)9-21-17(24)14-5-6-19-15(7-14)23-11-18-10-22-23/h3-8,10-12H,9H2,1-2H3,(H,21,24)
InChIKeyUAXPTDJMCQXOIY-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.77
Rot. Bonds6

About N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51091815) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51091815
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cn1
InChIInChI=1S/C17H18N6O2/c1-12(2)25-16-4-3-13(8-20-16)9-21-17(24)14-5-6-19-15(7-14)23-11-18-10-22-23/h3-8,10-12H,9H2,1-2H3,(H,21,24)
InChIKeyUAXPTDJMCQXOIY-UHFFFAOYSA-N
XLogP1.77
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51091815) is N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CC(C)Oc1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cn1.
What is the InChIKey of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is UAXPTDJMCQXOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12(2)25-16-4-3-13(8-20-16)9-21-17(24)14-5-6-19-15(7-14)23-11-18-10-22-23/h3-8,10-12H,9H2,1-2H3,(H,21,24).
What are the key properties of N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51091815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).