5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine

C16H20N4 — CID 141037394

IUPAC5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCc1ccc(Nc2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C16H20N4/c1-13-2-7-16(18-12-13)19-14-3-5-15(6-4-14)20-10-8-17-9-11-20/h2-7,12,17H,8-11H2,1H3,(H,18,19)
InChIKeySEFPZMVUSYYHMJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.54
Rot. Bonds3

About 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine

5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 141037394) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID141037394
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCc1ccc(Nc2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C16H20N4/c1-13-2-7-16(18-12-13)19-14-3-5-15(6-4-14)20-10-8-17-9-11-20/h2-7,12,17H,8-11H2,1H3,(H,18,19)
InChIKeySEFPZMVUSYYHMJ-UHFFFAOYSA-N
XLogP2.54
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 82513961
6-bromo-5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 141037384
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
5-methyl-N-phenylpyridin-2-amine
CID 12888062
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
CID 122624208
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081
3-(4-methylphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)propanamide
CID 119494095
bis(N-tert-butyl-4-piperazin-1-ylaniline);N-tert-butyl-5-piperazin-1-ylpyridin-2-amine;tetrakis(N-tert-butyl-5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-amine)
CID 160767753
5-bromo-2-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 68899926
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 141037394) is 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine is Cc1ccc(Nc2ccc(N3CCNCC3)cc2)nc1.
What is the InChIKey of 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is SEFPZMVUSYYHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-2-7-16(18-12-13)19-14-3-5-15(6-4-14)20-10-8-17-9-11-20/h2-7,12,17H,8-11H2,1H3,(H,18,19).
What are the key properties of 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine?
5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 141037394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).