2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid

C15H15N3O3 — CID 174613467

IUPAC2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESNN(C(=O)c1cccnc1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-18(14(19)12-7-4-8-17-10-12)13(15(20)21)9-11-5-2-1-3-6-11/h1-8,10,13H,9,16H2,(H,20,21)
InChIKeyZTTHORHDQCUBJC-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.09
Rot. Bonds5

About 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid

2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 174613467) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID174613467
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESNN(C(=O)c1cccnc1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-18(14(19)12-7-4-8-17-10-12)13(15(20)21)9-11-5-2-1-3-6-11/h1-8,10,13H,9,16H2,(H,20,21)
InChIKeyZTTHORHDQCUBJC-UHFFFAOYSA-N
XLogP1.09
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
2-[amino(benzoyl)amino]-N,3-diphenylpropanamide
CID 118301380
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
CID 174662660
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
2-[methyl(phenylmethoxycarbonyl)amino]-3-pyridin-3-ylpropanoic acid
CID 156690970
2-[amino-(2-hydrazinylacetyl)amino]-3-phenylpropanoic acid
CID 143862419

Frequently Asked Questions

What is the IUPAC name of 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid (CID 174613467) is 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid is NN(C(=O)c1cccnc1)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is ZTTHORHDQCUBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-18(14(19)12-7-4-8-17-10-12)13(15(20)21)9-11-5-2-1-3-6-11/h1-8,10,13H,9,16H2,(H,20,21).
What are the key properties of 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid?
2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 174613467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).