N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide

C13H14FN3O2 — CID 122246592

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)c1cncc(F)c1
InChIInChI=1S/C13H14FN3O2/c14-9-3-8(5-15-6-9)13(19)16-10-4-12(18)17(7-10)11-1-2-11/h3,5-6,10-11H,1-2,4,7H2,(H,16,19)
InChIKeyPHNYNAVABNUBFO-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.71
Rot. Bonds3

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide (PubChem CID 122246592) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
PubChem CID122246592
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
SMILESO=C(NC1CC(=O)N(C2CC2)C1)c1cncc(F)c1
InChIInChI=1S/C13H14FN3O2/c14-9-3-8(5-15-6-9)13(19)16-10-4-12(18)17(7-10)11-1-2-11/h3,5-6,10-11H,1-2,4,7H2,(H,16,19)
InChIKeyPHNYNAVABNUBFO-UHFFFAOYSA-N
XLogP0.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 129381908
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160
5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 124609380
5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 167801853
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 45188478
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 95721732
2-cyclopentyloxy-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 91815511
1-(2-aminopropyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyrazole-4-carboxamide
CID 167870282
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 71789232
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-1-methyltriazole-4-carboxamide
CID 95985223
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-1-oxidopyridin-1-ium-4-carboxamide
CID 45228021

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide (CID 122246592) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide is O=C(NC1CC(=O)N(C2CC2)C1)c1cncc(F)c1.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide?
The InChIKey is PHNYNAVABNUBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-3-8(5-15-6-9)13(19)16-10-4-12(18)17(7-10)11-1-2-11/h3,5-6,10-11H,1-2,4,7H2,(H,16,19).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 122246592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).