N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H18N6O2 — CID 31908062

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cn2)n1
InChIInChI=1S/C20H18N6O2/c1-13-9-14(2)26(24-13)18-8-7-15(10-21-18)23-19(27)11-25-12-22-17-6-4-3-5-16(17)20(25)28/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyOKNNVPFJBUMTMS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.23
Rot. Bonds4

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 31908062) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID31908062
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cn2)n1
InChIInChI=1S/C20H18N6O2/c1-13-9-14(2)26(24-13)18-8-7-15(10-21-18)23-19(27)11-25-12-22-17-6-4-3-5-16(17)20(25)28/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyOKNNVPFJBUMTMS-UHFFFAOYSA-N
XLogP2.23
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 46439880
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(2-methylindol-1-yl)acetamide
CID 43064755
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 31908062) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1cc(C)n(-c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OKNNVPFJBUMTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-9-14(2)26(24-13)18-8-7-15(10-21-18)23-19(27)11-25-12-22-17-6-4-3-5-16(17)20(25)28/h3-10,12H,11H2,1-2H3,(H,23,27).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 31908062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).