N-(4-pyrimidin-2-ylphenyl)propanamide

C13H13N3O — CID 137348877

IUPACN-(4-pyrimidin-2-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17)
InChIKeyAYWSBVNLDJWGBC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.49
Rot. Bonds3

About N-(4-pyrimidin-2-ylphenyl)propanamide

N-(4-pyrimidin-2-ylphenyl)propanamide (PubChem CID 137348877) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(4-pyrimidin-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-ylphenyl)propanamide
PubChem CID137348877
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(4-pyrimidin-2-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17)
InChIKeyAYWSBVNLDJWGBC-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
ethane;methane;N-phenylpropanamide
CID 159778408
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
(4-pyrimidin-2-ylphenyl)thiourea
CID 169356507
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
N-methyl-4-pyrimidin-2-ylaniline
CID 59619192
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-ylphenyl)propanamide?
The IUPAC name of N-(4-pyrimidin-2-ylphenyl)propanamide (CID 137348877) is N-(4-pyrimidin-2-ylphenyl)propanamide.
What is the SMILES notation for N-(4-pyrimidin-2-ylphenyl)propanamide?
The canonical SMILES for N-(4-pyrimidin-2-ylphenyl)propanamide is CCC(=O)Nc1ccc(-c2ncccn2)cc1.
What is the InChIKey of N-(4-pyrimidin-2-ylphenyl)propanamide?
The InChIKey is AYWSBVNLDJWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-12(17)16-11-6-4-10(5-7-11)13-14-8-3-9-15-13/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-pyrimidin-2-ylphenyl)propanamide?
N-(4-pyrimidin-2-ylphenyl)propanamide has a molecular weight of 227.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-ylphenyl)propanamide is sourced from PubChem (CID 137348877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).