2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone

C21H20ClN3O — CID 147611553

IUPAC2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)Cc1ccc(-c2cc(N(C)C)ccc2Cl)cn1
InChIInChI=1S/C21H20ClN3O/c1-14-8-9-23-13-19(14)21(26)10-16-5-4-15(12-24-16)18-11-17(25(2)3)6-7-20(18)22/h4-9,11-13H,10H2,1-3H3
InChIKeyGCCHWQCMQVYMNL-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.60
Rot. Bonds5

About 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone

2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 147611553) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone
PubChem CID147611553
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)Cc1ccc(-c2cc(N(C)C)ccc2Cl)cn1
InChIInChI=1S/C21H20ClN3O/c1-14-8-9-23-13-19(14)21(26)10-16-5-4-15(12-24-16)18-11-17(25(2)3)6-7-20(18)22/h4-9,11-13H,10H2,1-3H3
InChIKeyGCCHWQCMQVYMNL-UHFFFAOYSA-N
XLogP4.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone (CID 147611553) is 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone is Cc1ccncc1C(=O)Cc1ccc(-c2cc(N(C)C)ccc2Cl)cn1.
What is the InChIKey of 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is GCCHWQCMQVYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-8-9-23-13-19(14)21(26)10-16-5-4-15(12-24-16)18-11-17(25(2)3)6-7-20(18)22/h4-9,11-13H,10H2,1-3H3.
What are the key properties of 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone?
2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 365.86 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-chloro-5-(dimethylamino)phenyl]-2-pyridinyl]-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 147611553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).