propyl 4-(pyrimidine-5-carbonylamino)benzoate

C15H15N3O3 — CID 104625950

IUPACpropyl 4-(pyrimidine-5-carbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cncnc2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-7-21-15(20)11-3-5-13(6-4-11)18-14(19)12-8-16-10-17-9-12/h3-6,8-10H,2,7H2,1H3,(H,18,19)
InChIKeyVPCDSXSBRMVJGX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.30
Rot. Bonds5

About propyl 4-(pyrimidine-5-carbonylamino)benzoate

propyl 4-(pyrimidine-5-carbonylamino)benzoate (PubChem CID 104625950) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is propyl 4-(pyrimidine-5-carbonylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(pyrimidine-5-carbonylamino)benzoate
PubChem CID104625950
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namepropyl 4-(pyrimidine-5-carbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cncnc2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-7-21-15(20)11-3-5-13(6-4-11)18-14(19)12-8-16-10-17-9-12/h3-6,8-10H,2,7H2,1H3,(H,18,19)
InChIKeyVPCDSXSBRMVJGX-UHFFFAOYSA-N
XLogP2.30
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
propyl 4-(1H-imidazole-5-carbonylamino)benzoate
CID 63929483
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
hexyl 4-(pyridine-4-carbonylamino)benzoate
CID 19171743
propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate
CID 18195951
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
CID 55755393
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329

Frequently Asked Questions

What is the IUPAC name of propyl 4-(pyrimidine-5-carbonylamino)benzoate?
The IUPAC name of propyl 4-(pyrimidine-5-carbonylamino)benzoate (CID 104625950) is propyl 4-(pyrimidine-5-carbonylamino)benzoate.
What is the SMILES notation for propyl 4-(pyrimidine-5-carbonylamino)benzoate?
The canonical SMILES for propyl 4-(pyrimidine-5-carbonylamino)benzoate is CCCOC(=O)c1ccc(NC(=O)c2cncnc2)cc1.
What is the InChIKey of propyl 4-(pyrimidine-5-carbonylamino)benzoate?
The InChIKey is VPCDSXSBRMVJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-7-21-15(20)11-3-5-13(6-4-11)18-14(19)12-8-16-10-17-9-12/h3-6,8-10H,2,7H2,1H3,(H,18,19).
What are the key properties of propyl 4-(pyrimidine-5-carbonylamino)benzoate?
propyl 4-(pyrimidine-5-carbonylamino)benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(pyrimidine-5-carbonylamino)benzoate is sourced from PubChem (CID 104625950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).