1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

C20H22Cl2N4O2 — CID 55637087

IUPAC1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1cc(CNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccn1
InChIInChI=1S/C20H22Cl2N4O2/c1-25(2)18-8-13(5-6-23-18)12-24-19(27)17-4-3-7-26(17)20(28)14-9-15(21)11-16(22)10-14/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,24,27)
InChIKeyCSBUUIJNDUDVMC-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.38
Rot. Bonds5

About 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55637087) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55637087
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1cc(CNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccn1
InChIInChI=1S/C20H22Cl2N4O2/c1-25(2)18-8-13(5-6-23-18)12-24-19(27)17-4-3-7-26(17)20(28)14-9-15(21)11-16(22)10-14/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,24,27)
InChIKeyCSBUUIJNDUDVMC-UHFFFAOYSA-N
XLogP3.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55912514
(2S)-1-(3,5-dichlorobenzoyl)-N-[[4-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 95283981
1-(3,5-dichlorobenzoyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55840725
N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55615927
(2R)-1-(3,5-dichlorobenzoyl)-N-[5-(dimethylamino)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 52532720
(2S)-1-(3,5-dichlorobenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 51938352
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
1-(3,5-dichlorobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55607117
(2S)-1-[(2S)-1-(3,5-diethoxybenzoyl)pyrrolidine-2-carbonyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 51049676
[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 95765348
(2S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94096719
N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803976

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 55637087) is 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is CN(C)c1cc(CNC(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccn1.
What is the InChIKey of 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CSBUUIJNDUDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-25(2)18-8-13(5-6-23-18)12-24-19(27)17-4-3-7-26(17)20(28)14-9-15(21)11-16(22)10-14/h5-6,8-11,17H,3-4,7,12H2,1-2H3,(H,24,27).
What are the key properties of 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 421.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55637087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).