[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C20H25ClN4O2 — CID 133385820

IUPAC[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCN(C)c1cccc(CN(C)c2ncc(C(=O)N3CCOCC3)cc2Cl)c1
InChIInChI=1S/C20H25ClN4O2/c1-23(2)17-6-4-5-15(11-17)14-24(3)19-18(21)12-16(13-22-19)20(26)25-7-9-27-10-8-25/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyLMOPUYICGSZNLX-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.91
Rot. Bonds5

About [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133385820) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133385820
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCN(C)c1cccc(CN(C)c2ncc(C(=O)N3CCOCC3)cc2Cl)c1
InChIInChI=1S/C20H25ClN4O2/c1-23(2)17-6-4-5-15(11-17)14-24(3)19-18(21)12-16(13-22-19)20(26)25-7-9-27-10-8-25/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyLMOPUYICGSZNLX-UHFFFAOYSA-N
XLogP2.91
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273355
5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide
CID 133385930
[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270650
2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid
CID 122052078
[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 75396529
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133464886
[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 164632757
1-[4-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 133285323
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133385820) is [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is CN(C)c1cccc(CN(C)c2ncc(C(=O)N3CCOCC3)cc2Cl)c1.
What is the InChIKey of [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is LMOPUYICGSZNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-23(2)17-6-4-5-15(11-17)14-24(3)19-18(21)12-16(13-22-19)20(26)25-7-9-27-10-8-25/h4-6,11-13H,7-10,14H2,1-3H3.
What are the key properties of [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 388.90 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133385820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).