N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

C19H18N4O3 — CID 142410996

IUPACN-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCO)c(=O)n(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-13-4-6-14(7-5-13)17-11-16(18(25)21-9-10-24)19(26)23(22-17)15-3-2-8-20-12-15/h2-8,11-12,24H,9-10H2,1H3,(H,21,25)
InChIKeyVOQIVPGTJZMVEB-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.33
Rot. Bonds5

About N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (PubChem CID 142410996) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
PubChem CID142410996
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCO)c(=O)n(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-13-4-6-14(7-5-13)17-11-16(18(25)21-9-10-24)19(26)23(22-17)15-3-2-8-20-12-15/h2-8,11-12,24H,9-10H2,1H3,(H,21,25)
InChIKeyVOQIVPGTJZMVEB-UHFFFAOYSA-N
XLogP1.33
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135304049
6-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303921
3-oxo-2-pyridin-3-yl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 142411020
6-(4-chlorophenyl)-3-oxo-2-pyridin-3-yl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridazine-4-carboxamide
CID 151372170
6-[4-(difluoromethyl)phenyl]-3-oxo-2-pyridin-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
CID 155337561
6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 142411146
methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate
CID 135303887
6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303776
N-[(2S)-3-fluoro-2-hydroxypropyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide
CID 135308525
6-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3-iminopropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 156513223
3-oxo-2-pyridin-3-yl-N-(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135303973
6-(4-chlorophenyl)-3-oxo-2-pyridin-3-yl-N-(1,1,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)pyridazine-4-carboxamide
CID 175413314

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (CID 142410996) is N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCO)c(=O)n(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The InChIKey is VOQIVPGTJZMVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-4-6-14(7-5-13)17-11-16(18(25)21-9-10-24)19(26)23(22-17)15-3-2-8-20-12-15/h2-8,11-12,24H,9-10H2,1H3,(H,21,25).
What are the key properties of N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 142410996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).