[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C23H29ClN4O3 — CID 133273383

IUPAC[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C23H29ClN4O3/c1-17-2-4-18(5-3-17)21(27-6-10-30-11-7-27)16-26-22-20(24)14-19(15-25-22)23(29)28-8-12-31-13-9-28/h2-5,14-15,21H,6-13,16H2,1H3,(H,25,26)
InChIKeyVRQULOKCGRPUDP-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.00
Rot. Bonds6

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

[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273383) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273383
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC Name[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C23H29ClN4O3/c1-17-2-4-18(5-3-17)21(27-6-10-30-11-7-27)16-26-22-20(24)14-19(15-25-22)23(29)28-8-12-31-13-9-28/h2-5,14-15,21H,6-13,16H2,1H3,(H,25,26)
InChIKeyVRQULOKCGRPUDP-UHFFFAOYSA-N
XLogP3.00
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133477163
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
[5-chloro-6-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 128945642
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[1-(2,4-dimethylphenyl)propan-2-ylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293846
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
[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-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273383) is [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1ccc(C(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)N2CCOCC2)cc1.
What is the InChIKey of [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is VRQULOKCGRPUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-17-2-4-18(5-3-17)21(27-6-10-30-11-7-27)16-26-22-20(24)14-19(15-25-22)23(29)28-8-12-31-13-9-28/h2-5,14-15,21H,6-13,16H2,1H3,(H,25,26).
What are the key properties of [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 444.96 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).