N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide

C19H20N4O2 — CID 21465237

IUPACN-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC1CC(=O)NN=C1c1ccc(CCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-11-17(24)22-23-18(13)15-6-4-14(5-7-15)8-10-21-19(25)16-3-2-9-20-12-16/h2-7,9,12-13H,8,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyIQXSFOQVUYGRQB-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.91
Rot. Bonds5

About N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide

N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 21465237) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID21465237
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC1CC(=O)NN=C1c1ccc(CCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-11-17(24)22-23-18(13)15-6-4-14(5-7-15)8-10-21-19(25)16-3-2-9-20-12-16/h2-7,9,12-13H,8,10-11H2,1H3,(H,21,25)(H,22,24)
InChIKeyIQXSFOQVUYGRQB-UHFFFAOYSA-N
XLogP1.91
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide
CID 20765694
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide
CID 21249165
N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride
CID 18977165
N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide
CID 67662070
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 14623690
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
N-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]pyridine-3-carboxamide
CID 110790308
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
CID 110789922
N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110789365
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
N-octadecylpyridine-3-carboxamide
CID 3547337

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide (CID 21465237) is N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide is CC1CC(=O)NN=C1c1ccc(CCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is IQXSFOQVUYGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-11-17(24)22-23-18(13)15-6-4-14(5-7-15)8-10-21-19(25)16-3-2-9-20-12-16/h2-7,9,12-13H,8,10-11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide?
N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 21465237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).