N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide

C21H23N5O2 — CID 163307472

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide
SMILESCc1cc(C)n(CCNC(=O)c2ccc(-c3nncc(C)c3C)cc2)c(=O)n1
InChIInChI=1S/C21H23N5O2/c1-13-12-23-25-19(16(13)4)17-5-7-18(8-6-17)20(27)22-9-10-26-15(3)11-14(2)24-21(26)28/h5-8,11-12H,9-10H2,1-4H3,(H,22,27)
InChIKeyRASWCKYREORSPP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide (PubChem CID 163307472) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide
PubChem CID163307472
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide
SMILESCc1cc(C)n(CCNC(=O)c2ccc(-c3nncc(C)c3C)cc2)c(=O)n1
InChIInChI=1S/C21H23N5O2/c1-13-12-23-25-19(16(13)4)17-5-7-18(8-6-17)20(27)22-9-10-26-15(3)11-14(2)24-21(26)28/h5-8,11-12H,9-10H2,1-4H3,(H,22,27)
InChIKeyRASWCKYREORSPP-UHFFFAOYSA-N
XLogP2.36
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 131942685
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide
CID 46985669
2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72913236
3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide
CID 169420165
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172660059
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(4,5-dimethylpyridazin-3-yl)benzamide
CID 164692396
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-ethoxypropanamide
CID 119072623
1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 61386997
(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124754580
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156585394
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 135088813
1-(1,3-benzodioxol-5-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
CID 72881182

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide (CID 163307472) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide is Cc1cc(C)n(CCNC(=O)c2ccc(-c3nncc(C)c3C)cc2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide?
The InChIKey is RASWCKYREORSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-12-23-25-19(16(13)4)17-5-7-18(8-6-17)20(27)22-9-10-26-15(3)11-14(2)24-21(26)28/h5-8,11-12H,9-10H2,1-4H3,(H,22,27).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide is sourced from PubChem (CID 163307472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).