N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide

C14H15FN4O3 — CID 171697988

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCc2nc(C3CC3)no2)c(F)cn1
InChIInChI=1S/C14H15FN4O3/c1-2-21-11-5-9(10(15)6-16-11)14(20)17-7-12-18-13(19-22-12)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,17,20)
InChIKeyMMKSUYMAMXFXKO-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.81
Rot. Bonds6

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide (PubChem CID 171697988) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide
PubChem CID171697988
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCc2nc(C3CC3)no2)c(F)cn1
InChIInChI=1S/C14H15FN4O3/c1-2-21-11-5-9(10(15)6-16-11)14(20)17-7-12-18-13(19-22-12)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,17,20)
InChIKeyMMKSUYMAMXFXKO-UHFFFAOYSA-N
XLogP1.81
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
CID 47063305
5-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 74242097
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55891100
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylsulfanylphenyl)benzamide
CID 118787519
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea
CID 60543591
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide
CID 122566735
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55890972
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819345
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91819320
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 51095182
tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 55950542
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 135117057

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide (CID 171697988) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide is CCOc1cc(C(=O)NCc2nc(C3CC3)no2)c(F)cn1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide?
The InChIKey is MMKSUYMAMXFXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c1-2-21-11-5-9(10(15)6-16-11)14(20)17-7-12-18-13(19-22-12)8-3-4-8/h5-6,8H,2-4,7H2,1H3,(H,17,20).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide has a molecular weight of 306.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethoxy-5-fluoropyridine-4-carboxamide is sourced from PubChem (CID 171697988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).