6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide

C16H13N5O3 — CID 135401020

IUPAC6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2c[nH]ccc2=O)n[nH]c1=O
InChIInChI=1S/C16H13N5O3/c22-14-3-6-18-9-12(14)13-7-11(16(24)21-20-13)15(23)19-8-10-1-4-17-5-2-10/h1-7,9H,8H2,(H,18,22)(H,19,23)(H,21,24)
InChIKeyOZTMCJSRYQBLCC-UHFFFAOYSA-N
MW323.31 g/mol
LogP0.45
Rot. Bonds4

About 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide

6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide (PubChem CID 135401020) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide
PubChem CID135401020
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2c[nH]ccc2=O)n[nH]c1=O
InChIInChI=1S/C16H13N5O3/c22-14-3-6-18-9-12(14)13-7-11(16(24)21-20-13)15(23)19-8-10-1-4-17-5-2-10/h1-7,9H,8H2,(H,18,22)(H,19,23)(H,21,24)
InChIKeyOZTMCJSRYQBLCC-UHFFFAOYSA-N
XLogP0.45
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide with MolForge

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Related Compounds

6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazine-5-carboxamide
CID 135543703
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 114039090
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59017950
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992
3-chloro-N-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 69217820
6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
CID 59017983
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
3-[5-[(4-chlorophenyl)methylcarbamoyl]-6-oxo-1H-pyridazin-3-yl]benzoic acid
CID 59018051
N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59853619
2-(4,5-dichloro-6-oxo-1H-pyridazin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 91403681

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide?
The IUPAC name of 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide (CID 135401020) is 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide?
The canonical SMILES for 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide is O=C(NCc1ccncc1)c1cc(-c2c[nH]ccc2=O)n[nH]c1=O.
What is the InChIKey of 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide?
The InChIKey is OZTMCJSRYQBLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-14-3-6-18-9-12(14)13-7-11(16(24)21-20-13)15(23)19-8-10-1-4-17-5-2-10/h1-7,9H,8H2,(H,18,22)(H,19,23)(H,21,24).
What are the key properties of 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide?
6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 135401020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).