N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide

C18H17N3O2 — CID 23647043

IUPACN-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide
SMILESC[C@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2/c1-12-11-16(22)20-21-17(12)13-7-9-15(10-8-13)19-18(23)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyLVHPBBAYWCPQAM-LBPRGKRZSA-N
MW307.35 g/mol
LogP2.80
Rot. Bonds3

About N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide

N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide (PubChem CID 23647043) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide
PubChem CID23647043
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide
SMILESC[C@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2/c1-12-11-16(22)20-21-17(12)13-7-9-15(10-8-13)19-18(23)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyLVHPBBAYWCPQAM-LBPRGKRZSA-N
XLogP2.80
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide (CID 23647043) is N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide is C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide?
The InChIKey is LVHPBBAYWCPQAM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-11-16(22)20-21-17(12)13-7-9-15(10-8-13)19-18(23)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,23)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide?
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 23647043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).