N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C25H21N5O4 — CID 166333099

IUPACN-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1cn(C2CC2)c(=O)[nH]c1=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C25H21N5O4/c31-22-17(14-30(18-11-12-18)25(34)27-22)13-26-23(32)20-19(15-7-3-1-4-8-15)21(28-29-24(20)33)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,26,32)(H,29,33)(H,27,31,34)
InChIKeyNSNSAQPUJJBIOP-UHFFFAOYSA-N
MW455.47 g/mol
LogP2.22
Rot. Bonds6

About N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 166333099) has the molecular formula C25H21N5O4 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID166333099
Molecular FormulaC25H21N5O4
Molecular Weight455.47 g/mol
Exact Mass455.16
IUPAC NameN-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESO=C(NCc1cn(C2CC2)c(=O)[nH]c1=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C25H21N5O4/c31-22-17(14-30(18-11-12-18)25(34)27-22)13-26-23(32)20-19(15-7-3-1-4-8-15)21(28-29-24(20)33)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,26,32)(H,29,33)(H,27,31,34)
InChIKeyNSNSAQPUJJBIOP-UHFFFAOYSA-N
XLogP2.22
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 166333099) is N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is O=C(NCc1cn(C2CC2)c(=O)[nH]c1=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is NSNSAQPUJJBIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4/c31-22-17(14-30(18-11-12-18)25(34)27-22)13-26-23(32)20-19(15-7-3-1-4-8-15)21(28-29-24(20)33)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,26,32)(H,29,33)(H,27,31,34).
What are the key properties of N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-2,4-dioxopyrimidin-5-yl)methyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 166333099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).