N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide

C14H14BrN3O — CID 115273754

IUPACN-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide
SMILESNc1ccc(NC(=O)CCc2ccccc2Br)nc1
InChIInChI=1S/C14H14BrN3O/c15-12-4-2-1-3-10(12)5-8-14(19)18-13-7-6-11(16)9-17-13/h1-4,6-7,9H,5,8,16H2,(H,17,18,19)
InChIKeyDDWQEMCHQYGZGB-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.00
Rot. Bonds4

About N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide

N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide (PubChem CID 115273754) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide
PubChem CID115273754
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide
SMILESNc1ccc(NC(=O)CCc2ccccc2Br)nc1
InChIInChI=1S/C14H14BrN3O/c15-12-4-2-1-3-10(12)5-8-14(19)18-13-7-6-11(16)9-17-13/h1-4,6-7,9H,5,8,16H2,(H,17,18,19)
InChIKeyDDWQEMCHQYGZGB-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
CID 115273765
N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide
CID 115273748
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
N-(6-amino-3-pyridinyl)-4-(2-bromophenyl)butanamide
CID 115274535
N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948735
N-(5-amino-2-pyridinyl)-5-methylhexanamide
CID 115273731
N-(5-amino-2-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 43144626
N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 120613024
N-(5-amino-2-pyridinyl)-6-methylheptanamide
CID 115273760
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
N-(5-amino-2-pyridinyl)-2-propylpentanamide
CID 82985458

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide (CID 115273754) is N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide is Nc1ccc(NC(=O)CCc2ccccc2Br)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide?
The InChIKey is DDWQEMCHQYGZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-4-2-1-3-10(12)5-8-14(19)18-13-7-6-11(16)9-17-13/h1-4,6-7,9H,5,8,16H2,(H,17,18,19).
What are the key properties of N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide?
N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide has a molecular weight of 320.19 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide is sourced from PubChem (CID 115273754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).