2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride

C14H17Cl2N3O — CID 45262645

IUPAC2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C14H15N3O.2ClH/c15-12(10-11-6-2-1-3-7-11)14(18)17-13-8-4-5-9-16-13;;/h1-9,12H,10,15H2,(H,16,17,18);2*1H
InChIKeyXFNAPPXMRSTNOC-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride

2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride (PubChem CID 45262645) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride
PubChem CID45262645
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C14H15N3O.2ClH/c15-12(10-11-6-2-1-3-7-11)14(18)17-13-8-4-5-9-16-13;;/h1-9,12H,10,15H2,(H,16,17,18);2*1H
InChIKeyXFNAPPXMRSTNOC-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride (CID 45262645) is 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride is Cl.Cl.NC(Cc1ccccc1)C(=O)Nc1ccccn1.
What is the InChIKey of 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride?
The InChIKey is XFNAPPXMRSTNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.2ClH/c15-12(10-11-6-2-1-3-7-11)14(18)17-13-8-4-5-9-16-13;;/h1-9,12H,10,15H2,(H,16,17,18);2*1H.
What are the key properties of 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride?
2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride has a molecular weight of 314.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-pyridin-2-ylpropanamide;dihydrochloride is sourced from PubChem (CID 45262645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).