N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine

C23H27ClN6 — CID 5330381

IUPACN-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCN4CCCCC4)c3)n2)c1
InChIInChI=1S/C23H27ClN6/c24-19-6-4-7-20(13-19)28-23-17-26-16-22(29-23)18-12-21(15-25-14-18)27-8-5-11-30-9-2-1-3-10-30/h4,6-7,12-17,27H,1-3,5,8-11H2,(H,28,29)
InChIKeySQOMHHDPYUXRBG-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.22
Rot. Bonds8

About N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine

N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330381) has the molecular formula C23H27ClN6 and a molecular weight of 422.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330381
Molecular FormulaC23H27ClN6
Molecular Weight422.96 g/mol
Exact Mass422.20
IUPAC NameN-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCN4CCCCC4)c3)n2)c1
InChIInChI=1S/C23H27ClN6/c24-19-6-4-7-20(13-19)28-23-17-26-16-22(29-23)18-12-21(15-25-14-18)27-8-5-11-30-9-2-1-3-10-30/h4,6-7,12-17,27H,1-3,5,8-11H2,(H,28,29)
InChIKeySQOMHHDPYUXRBG-UHFFFAOYSA-N
XLogP5.22
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330381) is N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCCCN4CCCCC4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is SQOMHHDPYUXRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6/c24-19-6-4-7-20(13-19)28-23-17-26-16-22(29-23)18-12-21(15-25-14-18)27-8-5-11-30-9-2-1-3-10-30/h4,6-7,12-17,27H,1-3,5,8-11H2,(H,28,29).
What are the key properties of N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 422.96 g/mol, XLogP of 5.22, 8 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-(3-piperidin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).