1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide

C18H22N4O2 — CID 110693106

IUPAC1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(=O)n(C)c3)cc2)CC1
InChIInChI=1S/C18H22N4O2/c1-20-9-11-22(12-10-20)16-6-4-15(5-7-16)19-18(24)14-3-8-17(23)21(2)13-14/h3-8,13H,9-12H2,1-2H3,(H,19,24)
InChIKeyJSVVFRNIYFEION-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.39
Rot. Bonds3

About 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide

1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide (PubChem CID 110693106) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide
PubChem CID110693106
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(=O)n(C)c3)cc2)CC1
InChIInChI=1S/C18H22N4O2/c1-20-9-11-22(12-10-20)16-6-4-15(5-7-16)19-18(24)14-3-8-17(23)21(2)13-14/h3-8,13H,9-12H2,1-2H3,(H,19,24)
InChIKeyJSVVFRNIYFEION-UHFFFAOYSA-N
XLogP1.39
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
1-methyl-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 110693057
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 86873608
1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108992269
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;trihydrochloride
CID 129012193
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide (CID 110693106) is 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccc(=O)n(C)c3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide?
The InChIKey is JSVVFRNIYFEION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-9-11-22(12-10-20)16-6-4-15(5-7-16)19-18(24)14-3-8-17(23)21(2)13-14/h3-8,13H,9-12H2,1-2H3,(H,19,24).
What are the key properties of 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide?
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110693106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).