[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C21H26ClN3O2 — CID 133293846

IUPAC[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(CC(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)c(C)c1
InChIInChI=1S/C21H26ClN3O2/c1-14-4-5-17(15(2)10-14)11-16(3)24-20-19(22)12-18(13-23-20)21(26)25-6-8-27-9-7-25/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,23,24)
InChIKeyPMEIARRAVPROIZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.87
Rot. Bonds5

About [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133293846) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133293846
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(CC(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)c(C)c1
InChIInChI=1S/C21H26ClN3O2/c1-14-4-5-17(15(2)10-14)11-16(3)24-20-19(22)12-18(13-23-20)21(26)25-6-8-27-9-7-25/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,23,24)
InChIKeyPMEIARRAVPROIZ-UHFFFAOYSA-N
XLogP3.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273417
[5-chloro-6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133412769
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 95187057
[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273383
[5-chloro-6-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133417484
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 164632757

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133293846) is [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1ccc(CC(C)Nc2ncc(C(=O)N3CCOCC3)cc2Cl)c(C)c1.
What is the InChIKey of [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is PMEIARRAVPROIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-14-4-5-17(15(2)10-14)11-16(3)24-20-19(22)12-18(13-23-20)21(26)25-6-8-27-9-7-25/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,23,24).
What are the key properties of [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 387.91 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133293846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).