N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide

C14H16N4O3 — CID 16792339

IUPACN-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCn1cccnc1=O
InChIInChI=1S/C14H16N4O3/c1-21-12-9-10(15)3-4-11(12)17-13(19)5-8-18-7-2-6-16-14(18)20/h2-4,6-7,9H,5,8,15H2,1H3,(H,17,19)
InChIKeyONPJJSHFMFTKHJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.86
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide

N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide (PubChem CID 16792339) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
PubChem CID16792339
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCn1cccnc1=O
InChIInChI=1S/C14H16N4O3/c1-21-12-9-10(15)3-4-11(12)17-13(19)5-8-18-7-2-6-16-14(18)20/h2-4,6-7,9H,5,8,15H2,1H3,(H,17,19)
InChIKeyONPJJSHFMFTKHJ-UHFFFAOYSA-N
XLogP0.86
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788281
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
CID 16787006
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
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CID 43287035
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
CID 28786654
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 61034761
ethyl 2-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylacetate
CID 43618313
N-(5-amino-2-methoxyphenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 62351959
N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide (CID 16792339) is N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide is COc1cc(N)ccc1NC(=O)CCn1cccnc1=O.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide?
The InChIKey is ONPJJSHFMFTKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-21-12-9-10(15)3-4-11(12)17-13(19)5-8-18-7-2-6-16-14(18)20/h2-4,6-7,9H,5,8,15H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide?
N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 16792339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).