[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone

C19H22ClN3O2 — CID 133273355

IUPAC[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCN(CCc1ccccc1)c1ncc(C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-22(8-7-15-5-3-2-4-6-15)18-17(20)13-16(14-21-18)19(24)23-9-11-25-12-10-23/h2-6,13-14H,7-12H2,1H3
InChIKeyJIMCCDIRNMWWCO-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.89
Rot. Bonds5

About [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273355) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273355
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCN(CCc1ccccc1)c1ncc(C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-22(8-7-15-5-3-2-4-6-15)18-17(20)13-16(14-21-18)19(24)23-9-11-25-12-10-23/h2-6,13-14H,7-12H2,1H3
InChIKeyJIMCCDIRNMWWCO-UHFFFAOYSA-N
XLogP2.89
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133385820
2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid
CID 122052078
[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 164632757
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270650
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323
[5-chloro-6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133477163
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 75396529
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273355) is [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone is CN(CCc1ccccc1)c1ncc(C(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is JIMCCDIRNMWWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22(8-7-15-5-3-2-4-6-15)18-17(20)13-16(14-21-18)19(24)23-9-11-25-12-10-23/h2-6,13-14H,7-12H2,1H3.
What are the key properties of [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 359.86 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).