N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C21H21N5O5 — CID 122277998

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)NCCn3nc(C4CC4)ccc3=O)c2=O)cc1
InChIInChI=1S/C21H21N5O5/c1-31-15-6-4-14(5-7-15)26-20(29)16(12-23-21(26)30)19(28)22-10-11-25-18(27)9-8-17(24-25)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,28)(H,23,30)
InChIKeyCFNRNSCRFWRSCP-UHFFFAOYSA-N
MW423.43 g/mol
LogP0.40
Rot. Bonds7

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 122277998) has the molecular formula C21H21N5O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID122277998
Molecular FormulaC21H21N5O5
Molecular Weight423.43 g/mol
Exact Mass423.15
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)NCCn3nc(C4CC4)ccc3=O)c2=O)cc1
InChIInChI=1S/C21H21N5O5/c1-31-15-6-4-14(5-7-15)26-20(29)16(12-23-21(26)30)19(28)22-10-11-25-18(27)9-8-17(24-25)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,28)(H,23,30)
InChIKeyCFNRNSCRFWRSCP-UHFFFAOYSA-N
XLogP0.40
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122278053
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121120476
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 122278178
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide
CID 122277980
2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90538867
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
CID 122277941
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122278048
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(trifluoromethoxy)benzamide
CID 122278049

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 122277998) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(-n2c(=O)[nH]cc(C(=O)NCCn3nc(C4CC4)ccc3=O)c2=O)cc1.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CFNRNSCRFWRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5/c1-31-15-6-4-14(5-7-15)26-20(29)16(12-23-21(26)30)19(28)22-10-11-25-18(27)9-8-17(24-25)13-2-3-13/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,28)(H,23,30).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 122277998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).