2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride

C15H18ClN3O — CID 56832236

IUPAC2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H17N3O.ClH/c16-14(10-12-6-2-1-3-7-12)15(19)18-11-13-8-4-5-9-17-13;/h1-9,14H,10-11,16H2,(H,18,19);1H
InChIKeySHWNGDMUKKAOJZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP1.69
Rot. Bonds5

About 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride

2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 56832236) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
PubChem CID56832236
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H17N3O.ClH/c16-14(10-12-6-2-1-3-7-12)15(19)18-11-13-8-4-5-9-17-13;/h1-9,14H,10-11,16H2,(H,18,19);1H
InChIKeySHWNGDMUKKAOJZ-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
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2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
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2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride (CID 56832236) is 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride is Cl.NC(Cc1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is SHWNGDMUKKAOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c16-14(10-12-6-2-1-3-7-12)15(19)18-11-13-8-4-5-9-17-13;/h1-9,14H,10-11,16H2,(H,18,19);1H.
What are the key properties of 2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride?
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 1.69, 5 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-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 56832236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).