2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide

C19H19Cl2N5O — CID 129115773

IUPAC2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(Cl)cc(-c2cnc(N3CCNCC3)c(C#N)c2)cc1Cl
InChIInChI=1S/C19H19Cl2N5O/c1-25(2)19(27)17-15(20)8-12(9-16(17)21)14-7-13(10-22)18(24-11-14)26-5-3-23-4-6-26/h7-9,11,23H,3-6H2,1-2H3
InChIKeyYLEFHFAIMVYMFX-UHFFFAOYSA-N
MW404.30 g/mol
LogP3.04
Rot. Bonds3

About 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide

2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide (PubChem CID 129115773) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide
PubChem CID129115773
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC Name2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(Cl)cc(-c2cnc(N3CCNCC3)c(C#N)c2)cc1Cl
InChIInChI=1S/C19H19Cl2N5O/c1-25(2)19(27)17-15(20)8-12(9-16(17)21)14-7-13(10-22)18(24-11-14)26-5-3-23-4-6-26/h7-9,11,23H,3-6H2,1-2H3
InChIKeyYLEFHFAIMVYMFX-UHFFFAOYSA-N
XLogP3.04
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-3-cyano-2-pyridinyl]piperazine-1-carbonyl chloride
CID 129115797
2-chloro-4-[5-cyano-6-(4-propan-2-ylsulfanylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 145309714
2-chloro-4-[5-cyano-6-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 129143784
2-chloro-4-[5-cyano-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 129143729
2-chloro-4-[5-cyano-6-[4-[(2-fluorophenyl)methoxy]piperazin-1-yl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 129144056
2-piperazin-1-yl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 175475719
2-chloro-4-[6-[4-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-5-cyano-3-pyridinyl]-N,N-dimethylbenzamide
CID 129143779
4-[6-[4-(benzenesulfonyl)piperazin-1-yl]-5-cyano-3-pyridinyl]-N,N,2-trimethylbenzamide
CID 138492488
N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide
CID 140809745
6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 175758727
N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130404989
5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 14256459

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide?
The IUPAC name of 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide (CID 129115773) is 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide?
The canonical SMILES for 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide is CN(C)C(=O)c1c(Cl)cc(-c2cnc(N3CCNCC3)c(C#N)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide?
The InChIKey is YLEFHFAIMVYMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c1-25(2)19(27)17-15(20)8-12(9-16(17)21)14-7-13(10-22)18(24-11-14)26-5-3-23-4-6-26/h7-9,11,23H,3-6H2,1-2H3.
What are the key properties of 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide?
2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide has a molecular weight of 404.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 129115773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).