2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile

C13H15Cl3N4O — CID 36662494

IUPAC2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(NCCCN2CCOCC2)c(Cl)c1Cl
InChIInChI=1S/C13H15Cl3N4O/c14-10-9(8-17)12(16)19-13(11(10)15)18-2-1-3-20-4-6-21-7-5-20/h1-7H2,(H,18,19)
InChIKeyQQXYLJGPSMITDJ-UHFFFAOYSA-N
MW349.65 g/mol
LogP3.05
Rot. Bonds5

About 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile

2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile (PubChem CID 36662494) has the molecular formula C13H15Cl3N4O and a molecular weight of 349.65 g/mol. Its IUPAC name is 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
PubChem CID36662494
Molecular FormulaC13H15Cl3N4O
Molecular Weight349.65 g/mol
Exact Mass348.03
IUPAC Name2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(NCCCN2CCOCC2)c(Cl)c1Cl
InChIInChI=1S/C13H15Cl3N4O/c14-10-9(8-17)12(16)19-13(11(10)15)18-2-1-3-20-4-6-21-7-5-20/h1-7H2,(H,18,19)
InChIKeyQQXYLJGPSMITDJ-UHFFFAOYSA-N
XLogP3.05
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 20997604
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 162638269
6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
CID 55169476
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
CID 162381502
CID 162381502
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462640
2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 88906606
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The IUPAC name of 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile (CID 36662494) is 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile is N#Cc1c(Cl)nc(NCCCN2CCOCC2)c(Cl)c1Cl.
What is the InChIKey of 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
The InChIKey is QQXYLJGPSMITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N4O/c14-10-9(8-17)12(16)19-13(11(10)15)18-2-1-3-20-4-6-21-7-5-20/h1-7H2,(H,18,19).
What are the key properties of 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile?
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile has a molecular weight of 349.65 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 36662494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).