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

C19H25N5O2 — CID 110670033

IUPACN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCN(CCN(Cc2ccccc2)C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C19H25N5O2/c1-22-9-11-23(12-10-22)13-14-24(15-16-5-3-2-4-6-16)19(26)17-7-8-18(25)21-20-17/h2-8H,9-15H2,1H3,(H,21,25)
InChIKeySGAHDPGLLNVBFP-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.66
Rot. Bonds6

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

N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110670033) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110670033
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1CCN(CCN(Cc2ccccc2)C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C19H25N5O2/c1-22-9-11-23(12-10-22)13-14-24(15-16-5-3-2-4-6-16)19(26)17-7-8-18(25)21-20-17/h2-8H,9-15H2,1H3,(H,21,25)
InChIKeySGAHDPGLLNVBFP-UHFFFAOYSA-N
XLogP0.66
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 51189967
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 110670077
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 46994351
2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
CID 82853015
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110673301
N-benzyl-6-oxo-N-propyl-1H-pyridine-2-carboxamide
CID 107261621
benzyl-[3-[1,4,12-tris[3-[benzyl(carboxy)amino]propyl]-1,4,8,12-tetrazacyclopentadec-8-yl]propyl]carbamic acid
CID 57372008
3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one
CID 75437047
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propylamino]acetate
CID 54898620
N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
CID 110704750

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110670033) is N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CN1CCN(CCN(Cc2ccccc2)C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is SGAHDPGLLNVBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22-9-11-23(12-10-22)13-14-24(15-16-5-3-2-4-6-16)19(26)17-7-8-18(25)21-20-17/h2-8H,9-15H2,1H3,(H,21,25).
What are the key properties of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110670033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).