N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H17N5O3 — CID 119099491

IUPACN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2cnc(C3CC3)cc2=O)ccc1=O
InChIInChI=1S/C15H17N5O3/c1-19-13(21)5-4-11(18-19)15(23)16-6-7-20-9-17-12(8-14(20)22)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,23)
InChIKeyXUWSRRJZFQCLII-UHFFFAOYSA-N
MW315.33 g/mol
LogP-0.36
Rot. Bonds5

About N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 119099491) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID119099491
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2cnc(C3CC3)cc2=O)ccc1=O
InChIInChI=1S/C15H17N5O3/c1-19-13(21)5-4-11(18-19)15(23)16-6-7-20-9-17-12(8-14(20)22)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,23)
InChIKeyXUWSRRJZFQCLII-UHFFFAOYSA-N
XLogP-0.36
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122263898
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 121120018
3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121119964
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90515938
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3,4-dimethylbenzamide
CID 71795178
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 119099471
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-fluorophenyl)urea
CID 121120173
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 121120366

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 119099491) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCCn2cnc(C3CC3)cc2=O)ccc1=O.
What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is XUWSRRJZFQCLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-19-13(21)5-4-11(18-19)15(23)16-6-7-20-9-17-12(8-14(20)22)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,23).
What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 119099491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).