N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide

C18H22N6O3 — CID 110673460

IUPACN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(=O)[nH]n3)cc2)CC1
InChIInChI=1S/C18H22N6O3/c1-23-8-10-24(11-9-23)14-4-2-13(3-5-14)20-17(26)12-19-18(27)15-6-7-16(25)22-21-15/h2-7H,8-12H2,1H3,(H,19,27)(H,20,26)(H,22,25)
InChIKeyJVGGSYINSOTGEY-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.11
Rot. Bonds5

About N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110673460) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110673460
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(=O)[nH]n3)cc2)CC1
InChIInChI=1S/C18H22N6O3/c1-23-8-10-24(11-9-23)14-4-2-13(3-5-14)20-17(26)12-19-18(27)15-6-7-16(25)22-21-15/h2-7H,8-12H2,1H3,(H,19,27)(H,20,26)(H,22,25)
InChIKeyJVGGSYINSOTGEY-UHFFFAOYSA-N
XLogP-0.11
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]benzamide
CID 110601103
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]pentanamide
CID 110601093
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
3-(4-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]propanamide
CID 110615443
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110700131
methyl 4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010179
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999704
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
N-[4-[1-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16675340
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110673460) is N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is CN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(=O)[nH]n3)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JVGGSYINSOTGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-23-8-10-24(11-9-23)14-4-2-13(3-5-14)20-17(26)12-19-18(27)15-6-7-16(25)22-21-15/h2-7H,8-12H2,1H3,(H,19,27)(H,20,26)(H,22,25).
What are the key properties of N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110673460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).