N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C16H13N5O5 — CID 108785157

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3c[nH]c(=O)[nH]c3=O)c(O)cc2=O)c1
InChIInChI=1S/C16H13N5O5/c1-8-3-2-4-9(5-8)21-12(23)6-11(22)13(20-21)15(25)18-10-7-17-16(26)19-14(10)24/h2-7,22H,1H3,(H,18,25)(H2,17,19,24,26)
InChIKeyQUDMXJZJQIUTST-UHFFFAOYSA-N
MW355.31 g/mol
LogP-0.12
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108785157) has the molecular formula C16H13N5O5 and a molecular weight of 355.31 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108785157
Molecular FormulaC16H13N5O5
Molecular Weight355.31 g/mol
Exact Mass355.09
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3c[nH]c(=O)[nH]c3=O)c(O)cc2=O)c1
InChIInChI=1S/C16H13N5O5/c1-8-3-2-4-9(5-8)21-12(23)6-11(22)13(20-21)15(25)18-10-7-17-16(26)19-14(10)24/h2-7,22H,1H3,(H,18,25)(H2,17,19,24,26)
InChIKeyQUDMXJZJQIUTST-UHFFFAOYSA-N
XLogP-0.12
TPSA149.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108809192
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
4-hydroxy-N-(2-methoxy-5-nitrophenyl)-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785165
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798395
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784993
2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]pentanedioic acid
CID 108785089
4-hydroxy-1-(3-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108798253
N-(3-butoxypropyl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108784989

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 108785157) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3c[nH]c(=O)[nH]c3=O)c(O)cc2=O)c1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is QUDMXJZJQIUTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O5/c1-8-3-2-4-9(5-8)21-12(23)6-11(22)13(20-21)15(25)18-10-7-17-16(26)19-14(10)24/h2-7,22H,1H3,(H,18,25)(H2,17,19,24,26).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 355.31 g/mol, XLogP of -0.12, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108785157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).