N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine

C24H22ClN5 — CID 5330384

IUPACN-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCc4ccccc4)c3)n2)c1
InChIInChI=1S/C24H22ClN5/c25-20-9-4-10-21(13-20)29-24-17-27-16-23(30-24)19-12-22(15-26-14-19)28-11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,12-17,28H,5,8,11H2,(H,29,30)
InChIKeyNNTGNPPBTNKLPC-UHFFFAOYSA-N
MW415.93 g/mol
LogP5.98
Rot. Bonds8

About N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine

N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330384) has the molecular formula C24H22ClN5 and a molecular weight of 415.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine
PubChem CID5330384
Molecular FormulaC24H22ClN5
Molecular Weight415.93 g/mol
Exact Mass415.16
IUPAC NameN-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCc4ccccc4)c3)n2)c1
InChIInChI=1S/C24H22ClN5/c25-20-9-4-10-21(13-20)29-24-17-27-16-23(30-24)19-12-22(15-26-14-19)28-11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,12-17,28H,5,8,11H2,(H,29,30)
InChIKeyNNTGNPPBTNKLPC-UHFFFAOYSA-N
XLogP5.98
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.93
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine (CID 5330384) is N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCCCc4ccccc4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is NNTGNPPBTNKLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5/c25-20-9-4-10-21(13-20)29-24-17-27-16-23(30-24)19-12-22(15-26-14-19)28-11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,12-17,28H,5,8,11H2,(H,29,30).
What are the key properties of N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 415.93 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[5-(3-phenylpropylamino)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).