N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide

C15H17N3O2 — CID 122301589

IUPACN-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide
SMILESCOc1ncc(NC(=O)CCc2cccc(C)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-4-3-5-12(8-11)6-7-14(19)18-13-9-16-15(20-2)17-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,18,19)
InChIKeyGZLYPEKUFUQTTD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.36
Rot. Bonds5

About N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide

N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide (PubChem CID 122301589) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide
PubChem CID122301589
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide
SMILESCOc1ncc(NC(=O)CCc2cccc(C)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-11-4-3-5-12(8-11)6-7-14(19)18-13-9-16-15(20-2)17-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,18,19)
InChIKeyGZLYPEKUFUQTTD-UHFFFAOYSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide
CID 110475232
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
CID 82881123
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
CID 114299156
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474
3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide
CID 113031455
3-(2,6-dimethoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100789387
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide (CID 122301589) is N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide is COc1ncc(NC(=O)CCc2cccc(C)c2)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is GZLYPEKUFUQTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-4-3-5-12(8-11)6-7-14(19)18-13-9-16-15(20-2)17-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide?
N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 122301589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).