2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide

C13H17FN6O — CID 105386972

IUPAC2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCc2ncn(C)n2)c1F
InChIInChI=1S/C13H17FN6O/c1-3-15-12-11(14)9(4-6-16-12)13(21)17-7-5-10-18-8-20(2)19-10/h4,6,8H,3,5,7H2,1-2H3,(H,15,16)(H,17,21)
InChIKeyLPIVGPIVFUAZSI-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.75
Rot. Bonds6

About 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105386972) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID105386972
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCc2ncn(C)n2)c1F
InChIInChI=1S/C13H17FN6O/c1-3-15-12-11(14)9(4-6-16-12)13(21)17-7-5-10-18-8-20(2)19-10/h4,6,8H,3,5,7H2,1-2H3,(H,15,16)(H,17,21)
InChIKeyLPIVGPIVFUAZSI-UHFFFAOYSA-N
XLogP0.75
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 105388504
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
2-(ethylamino)-3-fluoro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385395
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389
N-[2-(tert-butylamino)-2-oxoethyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387072

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide (CID 105386972) is 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide is CCNc1nccc(C(=O)NCCc2ncn(C)n2)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is LPIVGPIVFUAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-3-15-12-11(14)9(4-6-16-12)13(21)17-7-5-10-18-8-20(2)19-10/h4,6,8H,3,5,7H2,1-2H3,(H,15,16)(H,17,21).
What are the key properties of 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105386972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).