[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone

C21H25Cl2N5O2 — CID 112837409

IUPAC[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone
SMILESCC1CN(c2ccc(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)cn2)CC(C)O1
InChIInChI=1S/C21H25Cl2N5O2/c1-14-12-28(13-15(2)30-14)19-4-3-16(10-24-19)21(29)27-7-5-26(6-8-27)20-18(23)9-17(22)11-25-20/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3
InChIKeySOXFWAKJZOAPAH-UHFFFAOYSA-N
MW450.37 g/mol
LogP3.36
Rot. Bonds3

About [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone (PubChem CID 112837409) has the molecular formula C21H25Cl2N5O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone
PubChem CID112837409
Molecular FormulaC21H25Cl2N5O2
Molecular Weight450.37 g/mol
Exact Mass449.14
IUPAC Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone
SMILESCC1CN(c2ccc(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)cn2)CC(C)O1
InChIInChI=1S/C21H25Cl2N5O2/c1-14-12-28(13-15(2)30-14)19-4-3-16(10-24-19)21(29)27-7-5-26(6-8-27)20-18(23)9-17(22)11-25-20/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3
InChIKeySOXFWAKJZOAPAH-UHFFFAOYSA-N
XLogP3.36
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 75403072
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 71252515
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 94146461
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25368785
N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone?
The IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone (CID 112837409) is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone is CC1CN(c2ccc(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)cn2)CC(C)O1.
What is the InChIKey of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone?
The InChIKey is SOXFWAKJZOAPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5O2/c1-14-12-28(13-15(2)30-14)19-4-3-16(10-24-19)21(29)27-7-5-26(6-8-27)20-18(23)9-17(22)11-25-20/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3.
What are the key properties of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone?
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone has a molecular weight of 450.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 112837409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).