3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid

C16H16N4O3 — CID 122590614

IUPAC3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)C1)c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C16H16N4O3/c21-15(19-13-6-7-20(10-13)16(22)23)14-17-8-12(9-18-14)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,19,21)(H,22,23)
InChIKeyAFAGDBCNMMLDBY-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.63
Rot. Bonds3

About 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid

3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 122590614) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID122590614
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)C1)c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C16H16N4O3/c21-15(19-13-6-7-20(10-13)16(22)23)14-17-8-12(9-18-14)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,19,21)(H,22,23)
InChIKeyAFAGDBCNMMLDBY-UHFFFAOYSA-N
XLogP1.63
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590844
4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
CID 58651083
tert-butyl 3-[(5-phenylpyridazine-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 122590937
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
(3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980355
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid (CID 122590614) is 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid is O=C(NC1CCN(C(=O)O)C1)c1ncc(-c2ccccc2)cn1.
What is the InChIKey of 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is AFAGDBCNMMLDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15(19-13-6-7-20(10-13)16(22)23)14-17-8-12(9-18-14)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2,(H,19,21)(H,22,23).
What are the key properties of 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid?
3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 122590614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).