[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C17H18Cl3N5O2 — CID 133273295

IUPAC[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCCNc2ncc(Cl)cc2Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H18Cl3N5O2/c18-12-8-14(20)16(24-10-12)22-2-1-21-15-13(19)7-11(9-23-15)17(26)25-3-5-27-6-4-25/h7-10H,1-6H2,(H,21,23)(H,22,24)
InChIKeyPDUPJYDNGPQIEN-UHFFFAOYSA-N
MW430.72 g/mol
LogP3.43
Rot. Bonds6

About [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273295) has the molecular formula C17H18Cl3N5O2 and a molecular weight of 430.72 g/mol. Its IUPAC name is [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273295
Molecular FormulaC17H18Cl3N5O2
Molecular Weight430.72 g/mol
Exact Mass429.05
IUPAC Name[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCCNc2ncc(Cl)cc2Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H18Cl3N5O2/c18-12-8-14(20)16(24-10-12)22-2-1-21-15-13(19)7-11(9-23-15)17(26)25-3-5-27-6-4-25/h7-10H,1-6H2,(H,21,23)(H,22,24)
InChIKeyPDUPJYDNGPQIEN-UHFFFAOYSA-N
XLogP3.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.72
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 164632757
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
[5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133378596
4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 133273291

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273295) is [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NCCNc2ncc(Cl)cc2Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is PDUPJYDNGPQIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N5O2/c18-12-8-14(20)16(24-10-12)22-2-1-21-15-13(19)7-11(9-23-15)17(26)25-3-5-27-6-4-25/h7-10H,1-6H2,(H,21,23)(H,22,24).
What are the key properties of [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 430.72 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).