N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

C18H18FN5O — CID 164612794

IUPACN-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cc2ccc(F)cc2)nc(-c2cn(C)nn2)c1
InChIInChI=1S/C18H18FN5O/c1-3-20-18(25)13-9-15(8-12-4-6-14(19)7-5-12)21-16(10-13)17-11-24(2)23-22-17/h4-7,9-11H,3,8H2,1-2H3,(H,20,25)
InChIKeyAQWBHASCAMJDPO-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (PubChem CID 164612794) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
PubChem CID164612794
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cc2ccc(F)cc2)nc(-c2cn(C)nn2)c1
InChIInChI=1S/C18H18FN5O/c1-3-20-18(25)13-9-15(8-12-4-6-14(19)7-5-12)21-16(10-13)17-11-24(2)23-22-17/h4-7,9-11H,3,8H2,1-2H3,(H,20,25)
InChIKeyAQWBHASCAMJDPO-UHFFFAOYSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (CID 164612794) is N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is CCNC(=O)c1cc(Cc2ccc(F)cc2)nc(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The InChIKey is AQWBHASCAMJDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-3-20-18(25)13-9-15(8-12-4-6-14(19)7-5-12)21-16(10-13)17-11-24(2)23-22-17/h4-7,9-11H,3,8H2,1-2H3,(H,20,25).
What are the key properties of N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 164612794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).