4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid

C16H17N3O3 — CID 120534830

IUPAC4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cncnc1-c1ccccc1
InChIInChI=1S/C16H17N3O3/c1-11(7-8-14(20)21)19-16(22)13-9-17-10-18-15(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyNCGAECWIOFYHAN-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.13
Rot. Bonds6

About 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid

4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid (PubChem CID 120534830) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid
PubChem CID120534830
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cncnc1-c1ccccc1
InChIInChI=1S/C16H17N3O3/c1-11(7-8-14(20)21)19-16(22)13-9-17-10-18-15(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyNCGAECWIOFYHAN-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

3-methyl-4-[(4-phenylpyrimidine-5-carbonyl)amino]butanoic acid
CID 120537018
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787
N-[4-(diethylamino)-4-oxobutyl]-4-phenylpyrimidine-5-carboxamide
CID 75401237
4-phenylpyrimidine-5-carboxamide
CID 160993699
N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
CID 110858718
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940
N-(3-acetylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 110861087
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
CID 103932811

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid (CID 120534830) is 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1cncnc1-c1ccccc1.
What is the InChIKey of 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid?
The InChIKey is NCGAECWIOFYHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(7-8-14(20)21)19-16(22)13-9-17-10-18-15(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid?
4-[(4-phenylpyrimidine-5-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 4-[(4-phenylpyrimidine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).