2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide

C9H8FN5O2 — CID 114185135

IUPAC2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)NCc2ncon2)c1F
InChIInChI=1S/C9H8FN5O2/c10-7-5(1-2-12-8(7)11)9(16)13-3-6-14-4-17-15-6/h1-2,4H,3H2,(H2,11,12)(H,13,16)
InChIKeyKTXDXHKHOZBZOP-UHFFFAOYSA-N
MW237.19 g/mol
LogP0.12
Rot. Bonds3

About 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 114185135) has the molecular formula C9H8FN5O2 and a molecular weight of 237.19 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
PubChem CID114185135
Molecular FormulaC9H8FN5O2
Molecular Weight237.19 g/mol
Exact Mass237.07
IUPAC Name2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)NCc2ncon2)c1F
InChIInChI=1S/C9H8FN5O2/c10-7-5(1-2-12-8(7)11)9(16)13-3-6-14-4-17-15-6/h1-2,4H,3H2,(H2,11,12)(H,13,16)
InChIKeyKTXDXHKHOZBZOP-UHFFFAOYSA-N
XLogP0.12
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106397156
2-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 106423000
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106399917
2-amino-3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106391343
2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 105386232
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
N-(1,2,4-oxadiazol-3-ylmethyl)-2-sulfanylbenzamide
CID 106410065
5-amino-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106391380
2,5-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183970
2-bromo-5-iodo-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106399945

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide (CID 114185135) is 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide is Nc1nccc(C(=O)NCc2ncon2)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is KTXDXHKHOZBZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O2/c10-7-5(1-2-12-8(7)11)9(16)13-3-6-14-4-17-15-6/h1-2,4H,3H2,(H2,11,12)(H,13,16).
What are the key properties of 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 237.19 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114185135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).