2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone

C21H25ClN4O2 — CID 58284665

IUPAC2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
SMILESO=C(Cc1cc(-c2cccc(N3CCOCC3)n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C21H25ClN4O2/c22-18-14-24-16(12-20(27)15-3-2-6-23-13-15)11-17(18)19-4-1-5-21(25-19)26-7-9-28-10-8-26/h1,4-5,11,14-15,23H,2-3,6-10,12-13H2/t15-/m1/s1
InChIKeyXZSWDQHUJSNSHX-OAHLLOKOSA-N
MW400.91 g/mol
LogP2.74
Rot. Bonds5

About 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone

2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone (PubChem CID 58284665) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
PubChem CID58284665
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
SMILESO=C(Cc1cc(-c2cccc(N3CCOCC3)n2)c(Cl)cn1)[C@@H]1CCCNC1
InChIInChI=1S/C21H25ClN4O2/c22-18-14-24-16(12-20(27)15-3-2-6-23-13-15)11-17(18)19-4-1-5-21(25-19)26-7-9-28-10-8-26/h1,4-5,11,14-15,23H,2-3,6-10,12-13H2/t15-/m1/s1
InChIKeyXZSWDQHUJSNSHX-OAHLLOKOSA-N
XLogP2.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[5-chloro-4-[6-[methyl(oxan-4-ylmethyl)amino]-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 58284766
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 58284806
2-[5-chloro-4-[3-[[(3S)-oxan-3-yl]methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 158548925
2-[5-chloro-4-[3-(cyclopropylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 157366170
2-[5-chloro-4-[6-[[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 58284507
2-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 147173545
2-[5-chloro-4-[6-[(5,5-dimethyl-1,4-dioxan-2-yl)methylamino]-5-fluoro-2-pyridinyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 58284529
2-[5-chloro-4-[3-[[(2S)-6,6-dimethyl-1,4-dioxan-2-yl]methylamino]phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 157171682
1-[(3S)-1-acetylpiperidin-3-yl]-2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]ethanone
CID 58284652
2-[5-chloro-4-[3-chloro-6-[(4-methoxyoxan-4-yl)methylamino]pyrazin-2-yl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161445456
2-[5-chloro-4-[6-[[(2S)-6,6-dimethyl-1,4-dioxan-2-yl]methylamino]-5-fluoropyrazin-2-yl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 161170487
2-[5-chloro-4-(5-fluoro-2-propan-2-yloxyphenyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone
CID 147856535

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?
The IUPAC name of 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone (CID 58284665) is 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone.
What is the SMILES notation for 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?
The canonical SMILES for 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone is O=C(Cc1cc(-c2cccc(N3CCOCC3)n2)c(Cl)cn1)[C@@H]1CCCNC1.
What is the InChIKey of 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?
The InChIKey is XZSWDQHUJSNSHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c22-18-14-24-16(12-20(27)15-3-2-6-23-13-15)11-17(18)19-4-1-5-21(25-19)26-7-9-28-10-8-26/h1,4-5,11,14-15,23H,2-3,6-10,12-13H2/t15-/m1/s1.
What are the key properties of 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone?
2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone has a molecular weight of 400.91 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(6-morpholin-4-yl-2-pyridinyl)-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone is sourced from PubChem (CID 58284665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).