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

C18H18FN5O — CID 164618735

IUPACN-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cc2ccccc2F)nc(-c2cn(C)nn2)c1
InChIInChI=1S/C18H18FN5O/c1-3-20-18(25)13-9-14(8-12-6-4-5-7-15(12)19)21-16(10-13)17-11-24(2)23-22-17/h4-7,9-11H,3,8H2,1-2H3,(H,20,25)
InChIKeyLVSFZDMQQPFAGD-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.36
Rot. Bonds5

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

N-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (PubChem CID 164618735) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
PubChem CID164618735
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cc2ccccc2F)nc(-c2cn(C)nn2)c1
InChIInChI=1S/C18H18FN5O/c1-3-20-18(25)13-9-14(8-12-6-4-5-7-15(12)19)21-16(10-13)17-11-24(2)23-22-17/h4-7,9-11H,3,8H2,1-2H3,(H,20,25)
InChIKeyLVSFZDMQQPFAGD-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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Related Compounds

2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
(18F)MK-1312
CID 53316847
2-cyclopropyl-5-(1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-isoindol-1-one
CID 11175501
Pyrrolopyridine, 24
CID 16720095
Pyrrolopyridine, 25
CID 16720200
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-[3-[(6R)-4-amino-6-methyl-7H-triazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 86294744
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 5329110
N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide
CID 72696912
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
CID 155818571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (CID 164618735) is N-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is CCNC(=O)c1cc(Cc2ccccc2F)nc(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-2-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The InChIKey is LVSFZDMQQPFAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-3-20-18(25)13-9-14(8-12-6-4-5-7-15(12)19)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-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
N-ethyl-2-[(2-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-[(2-fluorophenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 164618735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).