N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C21H20N6O2 — CID 121022822

IUPACN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCn1cc(-c2ncccc2CNC(=O)CCn2cnc3ccccc3c2=O)cn1
InChIInChI=1S/C21H20N6O2/c1-26-13-16(12-25-26)20-15(5-4-9-22-20)11-23-19(28)8-10-27-14-24-18-7-3-2-6-17(18)21(27)29/h2-7,9,12-14H,8,10-11H2,1H3,(H,23,28)
InChIKeyFQWHJTLCMGAZRB-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.90
Rot. Bonds6

About N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 121022822) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID121022822
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCn1cc(-c2ncccc2CNC(=O)CCn2cnc3ccccc3c2=O)cn1
InChIInChI=1S/C21H20N6O2/c1-26-13-16(12-25-26)20-15(5-4-9-22-20)11-23-19(28)8-10-27-14-24-18-7-3-2-6-17(18)21(27)29/h2-7,9,12-14H,8,10-11H2,1H3,(H,23,28)
InChIKeyFQWHJTLCMGAZRB-UHFFFAOYSA-N
XLogP1.90
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122275349
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275254
3-(3,4-dichlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275297
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55694713
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
2-(benzimidazol-1-yl)-N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]acetamide
CID 122162734

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 121022822) is N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is Cn1cc(-c2ncccc2CNC(=O)CCn2cnc3ccccc3c2=O)cn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is FQWHJTLCMGAZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26-13-16(12-25-26)20-15(5-4-9-22-20)11-23-19(28)8-10-27-14-24-18-7-3-2-6-17(18)21(27)29/h2-7,9,12-14H,8,10-11H2,1H3,(H,23,28).
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 121022822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).