N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide

C22H25FN4O3 — CID 172667244

IUPACN-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H25FN4O3/c1-5-26(13-18-24-19(30-25-18)12-14(2)3)21(28)20-15(4)10-11-27(22(20)29)17-8-6-16(23)7-9-17/h6-11,14H,5,12-13H2,1-4H3
InChIKeyPGCYEXJOAGJFTH-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.53
Rot. Bonds7

About N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide

N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172667244) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID172667244
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC NameN-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H25FN4O3/c1-5-26(13-18-24-19(30-25-18)12-14(2)3)21(28)20-15(4)10-11-27(22(20)29)17-8-6-16(23)7-9-17/h6-11,14H,5,12-13H2,1-4H3
InChIKeyPGCYEXJOAGJFTH-UHFFFAOYSA-N
XLogP3.53
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172672125
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 172663472
1-ethyl-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 118779709
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665894
(2R)-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 95140902
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77095831
2-[3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]carbamoyl]anilino]acetic acid
CID 46993302
N-ethyl-5-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238767
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154884865
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 172659304
(3S)-3-amino-4-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-4-oxobutanoic acid
CID 46995340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide (CID 172667244) is N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)c1c(C)ccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is PGCYEXJOAGJFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-5-26(13-18-24-19(30-25-18)12-14(2)3)21(28)20-15(4)10-11-27(22(20)29)17-8-6-16(23)7-9-17/h6-11,14H,5,12-13H2,1-4H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide?
N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172667244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).