2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide

C23H24N4O3 — CID 126466233

IUPAC2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)N4CCCCO4)cc3)c2)c(C)c1
InChIInChI=1S/C23H24N4O3/c1-16-5-10-21(17(2)13-16)22(28)25-19-14-24-26(15-19)20-8-6-18(7-9-20)23(29)27-11-3-4-12-30-27/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,25,28)
InChIKeyKHHFAZRBEMAHKW-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.91
Rot. Bonds4

About 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide

2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide (PubChem CID 126466233) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide
PubChem CID126466233
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)N4CCCCO4)cc3)c2)c(C)c1
InChIInChI=1S/C23H24N4O3/c1-16-5-10-21(17(2)13-16)22(28)25-19-14-24-26(15-19)20-8-6-18(7-9-20)23(29)27-11-3-4-12-30-27/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,25,28)
InChIKeyKHHFAZRBEMAHKW-UHFFFAOYSA-N
XLogP3.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide
CID 42276002
N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 42378439
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
CID 113400170
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
2,4-dimethyl-N-[4-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 118758657
1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243505
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide (CID 126466233) is 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)N4CCCCO4)cc3)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide?
The InChIKey is KHHFAZRBEMAHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-5-10-21(17(2)13-16)22(28)25-19-14-24-26(15-19)20-8-6-18(7-9-20)23(29)27-11-3-4-12-30-27/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,25,28).
What are the key properties of 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide?
2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 126466233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).