1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone

C20H26ClN5O — CID 67508879

IUPAC1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCc1cnc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)ncc2Cl)c(C)c1
InChIInChI=1S/C20H26ClN5O/c1-14-9-15(2)20(23-11-14)16-10-18(22-12-17(16)21)25-5-7-26(8-6-25)19(27)13-24(3)4/h9-12H,5-8,13H2,1-4H3
InChIKeySUPHKFKGLZKVRR-UHFFFAOYSA-N
MW387.92 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone

1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 67508879) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
PubChem CID67508879
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCc1cnc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)ncc2Cl)c(C)c1
InChIInChI=1S/C20H26ClN5O/c1-14-9-15(2)20(23-11-14)16-10-18(22-12-17(16)21)25-5-7-26(8-6-25)19(27)13-24(3)4/h9-12H,5-8,13H2,1-4H3
InChIKeySUPHKFKGLZKVRR-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone (CID 67508879) is 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone is Cc1cnc(-c2cc(N3CCN(C(=O)CN(C)C)CC3)ncc2Cl)c(C)c1.
What is the InChIKey of 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is SUPHKFKGLZKVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-14-9-15(2)20(23-11-14)16-10-18(22-12-17(16)21)25-5-7-26(8-6-25)19(27)13-24(3)4/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 387.92 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 67508879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).