N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C20H18N6O2 — CID 155916047

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCn1nc(-c2ccccn2)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H18N6O2/c1-25-18(12-17(24-25)16-8-4-5-10-21-16)23-19(27)9-11-26-13-22-15-7-3-2-6-14(15)20(26)28/h2-8,10,12-13H,9,11H2,1H3,(H,23,27)
InChIKeyLDNUOCIVTABESD-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.22
Rot. Bonds5

About N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 155916047) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID155916047
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCn1nc(-c2ccccn2)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H18N6O2/c1-25-18(12-17(24-25)16-8-4-5-10-21-16)23-19(27)9-11-26-13-22-15-7-3-2-6-14(15)20(26)28/h2-8,10,12-13H,9,11H2,1H3,(H,23,27)
InChIKeyLDNUOCIVTABESD-UHFFFAOYSA-N
XLogP2.22
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
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CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 72719244
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 71795774
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134699936
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
CID 55705897

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 155916047) is N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide is Cn1nc(-c2ccccn2)cc1NC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is LDNUOCIVTABESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-25-18(12-17(24-25)16-8-4-5-10-21-16)23-19(27)9-11-26-13-22-15-7-3-2-6-14(15)20(26)28/h2-8,10,12-13H,9,11H2,1H3,(H,23,27).
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 374.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 155916047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).