N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide

C20H26FN5O — CID 52986667

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CNNC2c2ccc(F)cc2)cn1
InChIInChI=1S/C20H26FN5O/c1-3-26(4-2)18-10-5-14(11-22-18)12-23-20(27)17-13-24-25-19(17)15-6-8-16(21)9-7-15/h5-11,17,19,24-25H,3-4,12-13H2,1-2H3,(H,23,27)
InChIKeyXIAGNIRWSNKYJI-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.15
Rot. Bonds7

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide (PubChem CID 52986667) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
PubChem CID52986667
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CNNC2c2ccc(F)cc2)cn1
InChIInChI=1S/C20H26FN5O/c1-3-26(4-2)18-10-5-14(11-22-18)12-23-20(27)17-13-24-25-19(17)15-6-8-16(21)9-7-15/h5-11,17,19,24-25H,3-4,12-13H2,1-2H3,(H,23,27)
InChIKeyXIAGNIRWSNKYJI-UHFFFAOYSA-N
XLogP2.15
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(diethylamino)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119846329
3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
CID 75266820
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(4-fluorophenoxy)ethyl]urea
CID 55794559
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633158
(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94171902
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine
CID 111233257
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986556
3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
CID 52989681
(1S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51953637

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide (CID 52986667) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide is CCN(CC)c1ccc(CNC(=O)C2CNNC2c2ccc(F)cc2)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The InChIKey is XIAGNIRWSNKYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-3-26(4-2)18-10-5-14(11-22-18)12-23-20(27)17-13-24-25-19(17)15-6-8-16(21)9-7-15/h5-11,17,19,24-25H,3-4,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 52986667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).