6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide

C20H24ClFN4O — CID 133431290

IUPAC6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCC2CCN(C)C2c2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C20H24ClFN4O/c1-25(2)20(27)15-5-7-18(24-12-15)23-11-14-8-9-26(3)19(14)13-4-6-16(21)17(22)10-13/h4-7,10,12,14,19H,8-9,11H2,1-3H3,(H,23,24)
InChIKeyMSVZPTNIWGRNEM-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.68
Rot. Bonds5

About 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide

6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 133431290) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID133431290
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCC2CCN(C)C2c2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C20H24ClFN4O/c1-25(2)20(27)15-5-7-18(24-12-15)23-11-14-8-9-26(3)19(14)13-4-6-16(21)17(22)10-13/h4-7,10,12,14,19H,8-9,11H2,1-3H3,(H,23,24)
InChIKeyMSVZPTNIWGRNEM-UHFFFAOYSA-N
XLogP3.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide (CID 133431290) is 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCC2CCN(C)C2c2ccc(Cl)c(F)c2)nc1.
What is the InChIKey of 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is MSVZPTNIWGRNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O/c1-25(2)20(27)15-5-7-18(24-12-15)23-11-14-8-9-26(3)19(14)13-4-6-16(21)17(22)10-13/h4-7,10,12,14,19H,8-9,11H2,1-3H3,(H,23,24).
What are the key properties of 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 390.89 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 133431290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).