N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine

C21H22ClN5O — CID 5330382

IUPACN-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCC4CCOCC4)c3)n2)c1
InChIInChI=1S/C21H22ClN5O/c22-17-2-1-3-18(9-17)26-21-14-24-13-20(27-21)16-8-19(12-23-11-16)25-10-15-4-6-28-7-5-15/h1-3,8-9,11-15,25H,4-7,10H2,(H,26,27)
InChIKeyALEMXOWDMCVYMB-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.77
Rot. Bonds6

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

N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330382) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330382
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC NameN-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCC4CCOCC4)c3)n2)c1
InChIInChI=1S/C21H22ClN5O/c22-17-2-1-3-18(9-17)26-21-14-24-13-20(27-21)16-8-19(12-23-11-16)25-10-15-4-6-28-7-5-15/h1-3,8-9,11-15,25H,4-7,10H2,(H,26,27)
InChIKeyALEMXOWDMCVYMB-UHFFFAOYSA-N
XLogP4.77
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cgp-60474
CID 644215
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
Pyrazine-Pyridine Biheteroaryl 52
CID 5330380
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330382) is N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCC4CCOCC4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is ALEMXOWDMCVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c22-17-2-1-3-18(9-17)26-21-14-24-13-20(27-21)16-8-19(12-23-11-16)25-10-15-4-6-28-7-5-15/h1-3,8-9,11-15,25H,4-7,10H2,(H,26,27).
What are the key properties of N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 395.89 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[5-(oxan-4-ylmethylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).