N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide

C15H15BrN4O3 — CID 166223731

IUPACN-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Br)[nH]c1=O
InChIInChI=1S/C15H15BrN4O3/c16-12-7-6-10(13(21)20-12)18-14(22)11(19-15(17)23)8-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,18,22)(H,20,21)(H3,17,19,23)
InChIKeySUVPKOJGNRSIMK-UHFFFAOYSA-N
MW379.21 g/mol
LogP1.36
Rot. Bonds5

About N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide

N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide (PubChem CID 166223731) has the molecular formula C15H15BrN4O3 and a molecular weight of 379.21 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide
PubChem CID166223731
Molecular FormulaC15H15BrN4O3
Molecular Weight379.21 g/mol
Exact Mass378.03
IUPAC NameN-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Br)[nH]c1=O
InChIInChI=1S/C15H15BrN4O3/c16-12-7-6-10(13(21)20-12)18-14(22)11(19-15(17)23)8-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,18,22)(H,20,21)(H3,17,19,23)
InChIKeySUVPKOJGNRSIMK-UHFFFAOYSA-N
XLogP1.36
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
CID 18161294
2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 18160928
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638122
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 43006853
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 30475898
2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 2173066
2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
CID 102401839
(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 40792237
2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18164591

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide?
The IUPAC name of N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide (CID 166223731) is N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide.
What is the SMILES notation for N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide?
The canonical SMILES for N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide is NC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Br)[nH]c1=O.
What is the InChIKey of N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide?
The InChIKey is SUVPKOJGNRSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O3/c16-12-7-6-10(13(21)20-12)18-14(22)11(19-15(17)23)8-9-4-2-1-3-5-9/h1-7,11H,8H2,(H,18,22)(H,20,21)(H3,17,19,23).
What are the key properties of N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide?
N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide has a molecular weight of 379.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 166223731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).