3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid

C16H17N3O3 — CID 171713642

IUPAC3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C16H17N3O3/c1-2-12(8-15(20)21)19-16(22)14-9-13(17-10-18-14)11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyQGXIWLWHLARVAL-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.13
Rot. Bonds6

About 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid

3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid (PubChem CID 171713642) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid
PubChem CID171713642
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C16H17N3O3/c1-2-12(8-15(20)21)19-16(22)14-9-13(17-10-18-14)11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyQGXIWLWHLARVAL-UHFFFAOYSA-N
XLogP2.13
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-N-[(1R)-1-phenylethyl]pyrimidine-4-carboxamide
CID 44634188
6-phenylpyrimidine-4-carboxamide
CID 12582963
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
(3R)-4-(4-phenylphenyl)-3-(pyrimidine-4-carbonylamino)butanoic acid
CID 59607731
N'-(furan-2-ylmethyl)-6-phenylpyrimidine-4-carbohydrazide
CID 91437042
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 67218406
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
CID 1235439
3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid
CID 114255017
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104

Frequently Asked Questions

What is the IUPAC name of 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid (CID 171713642) is 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid is CCC(CC(=O)O)NC(=O)c1cc(-c2ccccc2)ncn1.
What is the InChIKey of 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid?
The InChIKey is QGXIWLWHLARVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-12(8-15(20)21)19-16(22)14-9-13(17-10-18-14)11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid?
3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-phenylpyrimidine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 171713642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).