N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine

C19H24N4O — CID 134437894

IUPACN-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine
SMILESC=C(Nc1cc(C)ccn1)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H24N4O/c1-15-8-9-20-19(14-15)21-16(2)22-10-12-23(13-11-22)17-4-6-18(24-3)7-5-17/h4-9,14H,2,10-13H2,1,3H3,(H,20,21)
InChIKeyBKTYQCNNULUXFZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.10
Rot. Bonds5

About N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine

N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine (PubChem CID 134437894) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine
PubChem CID134437894
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine
SMILESC=C(Nc1cc(C)ccn1)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H24N4O/c1-15-8-9-20-19(14-15)21-16(2)22-10-12-23(13-11-22)17-4-6-18(24-3)7-5-17/h4-9,14H,2,10-13H2,1,3H3,(H,20,21)
InChIKeyBKTYQCNNULUXFZ-UHFFFAOYSA-N
XLogP3.10
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)piperazine-1-carbothioamide
CID 53257140
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
2-(4-methoxyphenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349495
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109175248
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108530730
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
(2-bromo-5-methoxyphenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346940
N-(3,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952778
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
2-(2-fluoro-4-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 37479293
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine (CID 134437894) is N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine is C=C(Nc1cc(C)ccn1)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine?
The InChIKey is BKTYQCNNULUXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-8-9-20-19(14-15)21-16(2)22-10-12-23(13-11-22)17-4-6-18(24-3)7-5-17/h4-9,14H,2,10-13H2,1,3H3,(H,20,21).
What are the key properties of N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine?
N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine has a molecular weight of 324.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethenyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 134437894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).