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

C19H19N5O4 — CID 90515938

IUPACN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(-c2cc(=O)n(CCNC(=O)c3ccc(=O)n(C)n3)cn2)cc1
InChIInChI=1S/C19H19N5O4/c1-23-17(25)8-7-15(22-23)19(27)20-9-10-24-12-21-16(11-18(24)26)13-3-5-14(28-2)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,20,27)
InChIKeyOJEIEGZJQBRVIA-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.44
Rot. Bonds6

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

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 90515938) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID90515938
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(-c2cc(=O)n(CCNC(=O)c3ccc(=O)n(C)n3)cn2)cc1
InChIInChI=1S/C19H19N5O4/c1-23-17(25)8-7-15(22-23)19(27)20-9-10-24-12-21-16(11-18(24)26)13-3-5-14(28-2)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,20,27)
InChIKeyOJEIEGZJQBRVIA-UHFFFAOYSA-N
XLogP0.44
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 90515891
2-(4-bromophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515797
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515745
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
2-chloro-6-fluoro-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzamide
CID 90515800
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90515898
2-(3-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515868
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethoxybenzamide
CID 90516111
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methyl-3-nitrobenzamide
CID 90515756
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90515855

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 90515938) is N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is COc1ccc(-c2cc(=O)n(CCNC(=O)c3ccc(=O)n(C)n3)cn2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is OJEIEGZJQBRVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-23-17(25)8-7-15(22-23)19(27)20-9-10-24-12-21-16(11-18(24)26)13-3-5-14(28-2)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,20,27).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 90515938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).