3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide

C18H20FN5O2 — CID 52989681

IUPAC3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CNNC1c1ccc(F)cc1)Nc1ccccn1
InChIInChI=1S/C18H20FN5O2/c19-13-6-4-12(5-7-13)17-14(11-22-24-17)18(26)21-10-8-16(25)23-15-3-1-2-9-20-15/h1-7,9,14,17,22,24H,8,10-11H2,(H,21,26)(H,20,23,25)
InChIKeySHUUDARSKNQUIC-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.13
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide

3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide (PubChem CID 52989681) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
PubChem CID52989681
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CNNC1c1ccc(F)cc1)Nc1ccccn1
InChIInChI=1S/C18H20FN5O2/c19-13-6-4-12(5-7-13)17-14(11-22-24-17)18(26)21-10-8-16(25)23-15-3-1-2-9-20-15/h1-7,9,14,17,22,24H,8,10-11H2,(H,21,26)(H,20,23,25)
InChIKeySHUUDARSKNQUIC-UHFFFAOYSA-N
XLogP1.13
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 75592309
3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
CID 75266820
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide
CID 133108056
trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94811747
3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
CID 74760091
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986667
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide
CID 133108099
3-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]pyrazolidine-4-carboxamide
CID 73277683
3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
CID 52975448
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986556
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide (CID 52989681) is 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide is O=C(CCNC(=O)C1CNNC1c1ccc(F)cc1)Nc1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide?
The InChIKey is SHUUDARSKNQUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-13-6-4-12(5-7-13)17-14(11-22-24-17)18(26)21-10-8-16(25)23-15-3-1-2-9-20-15/h1-7,9,14,17,22,24H,8,10-11H2,(H,21,26)(H,20,23,25).
What are the key properties of 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide?
3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 52989681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).