2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine

C16H19ClN4 — CID 104918819

IUPAC2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
SMILESCc1cccc(N2CCN(c3cc(N)cc(Cl)n3)CC2)c1
InChIInChI=1S/C16H19ClN4/c1-12-3-2-4-14(9-12)20-5-7-21(8-6-20)16-11-13(18)10-15(17)19-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19)
InChIKeySZLNAAYTPJGXLC-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.95
Rot. Bonds2

About 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine

2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine (PubChem CID 104918819) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
PubChem CID104918819
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
SMILESCc1cccc(N2CCN(c3cc(N)cc(Cl)n3)CC2)c1
InChIInChI=1S/C16H19ClN4/c1-12-3-2-4-14(9-12)20-5-7-21(8-6-20)16-11-13(18)10-15(17)19-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19)
InChIKeySZLNAAYTPJGXLC-UHFFFAOYSA-N
XLogP2.95
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine
CID 79827724
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
CID 71683732
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654
4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 133282077
1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine
CID 141329163
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923455
N-ethyl-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidin-2-amine
CID 112923459
2-[2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112873821
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine?
The IUPAC name of 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine (CID 104918819) is 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine?
The canonical SMILES for 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine is Cc1cccc(N2CCN(c3cc(N)cc(Cl)n3)CC2)c1.
What is the InChIKey of 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine?
The InChIKey is SZLNAAYTPJGXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-3-2-4-14(9-12)20-5-7-21(8-6-20)16-11-13(18)10-15(17)19-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19).
What are the key properties of 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine?
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine has a molecular weight of 302.81 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine is sourced from PubChem (CID 104918819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).