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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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).