1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C24H30N6O2 — CID 55742599

IUPAC1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)CCC2=O)c1
InChIInChI=1S/C24H30N6O2/c1-17-4-5-18(2)21(14-17)30-23(31)7-6-20(27-30)24(32)26-16-19-8-9-25-22(15-19)29-12-10-28(3)11-13-29/h4-5,8-9,14-15H,6-7,10-13,16H2,1-3H3,(H,26,32)
InChIKeyCNBDQTIPNXVVPI-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55742599) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55742599
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)CCC2=O)c1
InChIInChI=1S/C24H30N6O2/c1-17-4-5-18(2)21(14-17)30-23(31)7-6-20(27-30)24(32)26-16-19-8-9-25-22(15-19)29-12-10-28(3)11-13-29/h4-5,8-9,14-15H,6-7,10-13,16H2,1-3H3,(H,26,32)
InChIKeyCNBDQTIPNXVVPI-UHFFFAOYSA-N
XLogP2.25
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55839935
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 78768674
1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55660924
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
CID 60518761
1-(2,5-dimethylphenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43004883
5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 47925567
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55742599) is 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CNBDQTIPNXVVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17-4-5-18(2)21(14-17)30-23(31)7-6-20(27-30)24(32)26-16-19-8-9-25-22(15-19)29-12-10-28(3)11-13-29/h4-5,8-9,14-15H,6-7,10-13,16H2,1-3H3,(H,26,32).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55742599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).