N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide

C20H24ClFN6O2 — CID 134584865

IUPACN-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)N(Cc2ccc(C(=O)NN)cn2)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C20H24ClFN6O2/c1-26(2)16-7-8-27(12-16)20(30)28(15-5-6-18(22)17(21)9-15)11-14-4-3-13(10-24-14)19(29)25-23/h3-6,9-10,16H,7-8,11-12,23H2,1-2H3,(H,25,29)
InChIKeyFUURSSDXAFGAKB-UHFFFAOYSA-N
MW434.90 g/mol
LogP2.24
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide

N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 134584865) has the molecular formula C20H24ClFN6O2 and a molecular weight of 434.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide
PubChem CID134584865
Molecular FormulaC20H24ClFN6O2
Molecular Weight434.90 g/mol
Exact Mass434.16
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)N(Cc2ccc(C(=O)NN)cn2)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C20H24ClFN6O2/c1-26(2)16-7-8-27(12-16)20(30)28(15-5-6-18(22)17(21)9-15)11-14-4-3-13(10-24-14)19(29)25-23/h3-6,9-10,16H,7-8,11-12,23H2,1-2H3,(H,25,29)
InChIKeyFUURSSDXAFGAKB-UHFFFAOYSA-N
XLogP2.24
TPSA94.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide (CID 134584865) is N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide is CN(C)C1CCN(C(=O)N(Cc2ccc(C(=O)NN)cn2)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is FUURSSDXAFGAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN6O2/c1-26(2)16-7-8-27(12-16)20(30)28(15-5-6-18(22)17(21)9-15)11-14-4-3-13(10-24-14)19(29)25-23/h3-6,9-10,16H,7-8,11-12,23H2,1-2H3,(H,25,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 434.90 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134584865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).