3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride

C16H21Cl2N3O2 — CID 162386460

IUPAC3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1cccnc1)C(O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H19N3O2.2ClH/c17-14(9-13-7-4-8-18-10-13)15(20)16(21)19-11-12-5-2-1-3-6-12;;/h1-8,10,14-15,20H,9,11,17H2,(H,19,21);2*1H
InChIKeyWGTYEJVXNXWRBJ-UHFFFAOYSA-N
MW358.27 g/mol
LogP1.47
Rot. Bonds6

About 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride

3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride (PubChem CID 162386460) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
PubChem CID162386460
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
SMILESCl.Cl.NC(Cc1cccnc1)C(O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H19N3O2.2ClH/c17-14(9-13-7-4-8-18-10-13)15(20)16(21)19-11-12-5-2-1-3-6-12;;/h1-8,10,14-15,20H,9,11,17H2,(H,19,21);2*1H
InChIKeyWGTYEJVXNXWRBJ-UHFFFAOYSA-N
XLogP1.47
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate;dihydrochloride
CID 89350834
benzyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]phenyl]methyl]carbamate
CID 71185995
(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
CID 142702802
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
(2S)-3-amino-4-phenyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 142662312
3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide
CID 20978769

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride (CID 162386460) is 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride is Cl.Cl.NC(Cc1cccnc1)C(O)C(=O)NCc1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride?
The InChIKey is WGTYEJVXNXWRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c17-14(9-13-7-4-8-18-10-13)15(20)16(21)19-11-12-5-2-1-3-6-12;;/h1-8,10,14-15,20H,9,11,17H2,(H,19,21);2*1H.
What are the key properties of 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride?
3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 162386460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).