2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

C10H11FN6O — CID 106283696

IUPAC2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(N)c1F)c1ncn[nH]1
InChIInChI=1S/C10H11FN6O/c1-5(9-14-4-15-17-9)16-10(18)6-2-3-13-8(12)7(6)11/h2-5H,1H3,(H2,12,13)(H,16,18)(H,14,15,17)
InChIKeyACXZBZMVXRWSCH-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 106283696) has the molecular formula C10H11FN6O and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID106283696
Molecular FormulaC10H11FN6O
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Name2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(N)c1F)c1ncn[nH]1
InChIInChI=1S/C10H11FN6O/c1-5(9-14-4-15-17-9)16-10(18)6-2-3-13-8(12)7(6)11/h2-5H,1H3,(H2,12,13)(H,16,18)(H,14,15,17)
InChIKeyACXZBZMVXRWSCH-UHFFFAOYSA-N
XLogP0.41
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105387534
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097
2-amino-3-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 105386943

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (CID 106283696) is 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(N)c1F)c1ncn[nH]1.
What is the InChIKey of 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is ACXZBZMVXRWSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O/c1-5(9-14-4-15-17-9)16-10(18)6-2-3-13-8(12)7(6)11/h2-5H,1H3,(H2,12,13)(H,16,18)(H,14,15,17).
What are the key properties of 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 250.24 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 106283696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).