N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide

C20H25ClN4O2 — CID 138007376

IUPACN-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide
SMILESCN(CCN(C)C(=O)c1cccnc1N(C)C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C20H25ClN4O2/c1-23(2)19-17(9-6-10-22-19)20(27)25(4)12-11-24(3)18(26)14-15-7-5-8-16(21)13-15/h5-10,13H,11-12,14H2,1-4H3
InChIKeyUFDICCPVZZVGEN-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.57
Rot. Bonds7

About N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide

N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide (PubChem CID 138007376) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide
PubChem CID138007376
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide
SMILESCN(CCN(C)C(=O)c1cccnc1N(C)C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C20H25ClN4O2/c1-23(2)19-17(9-6-10-22-19)20(27)25(4)12-11-24(3)18(26)14-15-7-5-8-16(21)13-15/h5-10,13H,11-12,14H2,1-4H3
InChIKeyUFDICCPVZZVGEN-UHFFFAOYSA-N
XLogP2.57
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
CID 103721743
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 53015798
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
CID 107358643
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38919428
2-(dimethylamino)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 56819277
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide (CID 138007376) is N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide is CN(CCN(C)C(=O)c1cccnc1N(C)C)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is UFDICCPVZZVGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-23(2)19-17(9-6-10-22-19)20(27)25(4)12-11-24(3)18(26)14-15-7-5-8-16(21)13-15/h5-10,13H,11-12,14H2,1-4H3.
What are the key properties of N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide?
N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-chlorophenyl)acetyl]-methylamino]ethyl]-2-(dimethylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 138007376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).