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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Related Compounds

Falnidamol
CID 6918508
Cgp-60474
CID 644215
Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CID 118238298
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070

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).