N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C22H23N5O3 — CID 55797255

IUPACN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1
InChIInChI=1S/C22H23N5O3/c1-26(2)15-20(28)24-17-8-6-7-16(13-17)14-23-22(30)19-11-12-21(29)27(25-19)18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3,(H,23,30)(H,24,28)
InChIKeyDSFWHRYUKAWMGJ-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.66
Rot. Bonds7

About N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 55797255) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID55797255
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1
InChIInChI=1S/C22H23N5O3/c1-26(2)15-20(28)24-17-8-6-7-16(13-17)14-23-22(30)19-11-12-21(29)27(25-19)18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3,(H,23,30)(H,24,28)
InChIKeyDSFWHRYUKAWMGJ-UHFFFAOYSA-N
XLogP1.66
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55797410
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31855931
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55797120
N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55869460
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55844382
3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide
CID 86945175
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
6-oxo-1-phenyl-N-(3-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 55766207
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 55797255) is N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide is CN(C)CC(=O)Nc1cccc(CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)c1.
What is the InChIKey of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is DSFWHRYUKAWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-26(2)15-20(28)24-17-8-6-7-16(13-17)14-23-22(30)19-11-12-21(29)27(25-19)18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3,(H,23,30)(H,24,28).
What are the key properties of N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 55797255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).