N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine

C22H25ClN6O — CID 5330380

IUPACN-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCN4CCOCC4)c3)n2)c1
InChIInChI=1S/C22H25ClN6O/c23-18-3-1-4-19(12-18)27-22-16-25-15-21(28-22)17-11-20(14-24-13-17)26-5-2-6-29-7-9-30-10-8-29/h1,3-4,11-16,26H,2,5-10H2,(H,27,28)
InChIKeyILIYEHQBHWMGTJ-UHFFFAOYSA-N
MW424.94 g/mol
LogP4.07
Rot. Bonds8

About N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine

N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330380) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330380
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC NameN-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCN4CCOCC4)c3)n2)c1
InChIInChI=1S/C22H25ClN6O/c23-18-3-1-4-19(12-18)27-22-16-25-15-21(28-22)17-11-20(14-24-13-17)26-5-2-6-29-7-9-30-10-8-29/h1,3-4,11-16,26H,2,5-10H2,(H,27,28)
InChIKeyILIYEHQBHWMGTJ-UHFFFAOYSA-N
XLogP4.07
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Cgp-60474
CID 644215
4-Anilinopyrido[3,4-d]pyrimidine 31
CID 5329092
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 28
CID 5330364
Pyrazine-Pyridine Biheteroaryl 38
CID 5330368
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 44
CID 5330372
Pyrazine-Pyridine Biheteroaryl 45
CID 5330373
Pyrazine-Pyridine Biheteroaryl 46
CID 5330374
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330380) is N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCCCN4CCOCC4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is ILIYEHQBHWMGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c23-18-3-1-4-19(12-18)27-22-16-25-15-21(28-22)17-11-20(14-24-13-17)26-5-2-6-29-7-9-30-10-8-29/h1,3-4,11-16,26H,2,5-10H2,(H,27,28).
What are the key properties of N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 424.94 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[5-(3-morpholin-4-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).