N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide

C17H19N3O4 — CID 67691060

IUPACN-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
SMILESCC(O)[C@H](N)C(=O)NC(=O)c1ncccc1OCc1ccccc1
InChIInChI=1S/C17H19N3O4/c1-11(21)14(18)16(22)20-17(23)15-13(8-5-9-19-15)24-10-12-6-3-2-4-7-12/h2-9,11,14,21H,10,18H2,1H3,(H,20,22,23)/t11?,14-/m0/s1
InChIKeyWJYOLLYEZVEMLB-IAXJKZSUSA-N
MW329.36 g/mol
LogP0.63
Rot. Bonds6

About N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide

N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 67691060) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
PubChem CID67691060
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
SMILESCC(O)[C@H](N)C(=O)NC(=O)c1ncccc1OCc1ccccc1
InChIInChI=1S/C17H19N3O4/c1-11(21)14(18)16(22)20-17(23)15-13(8-5-9-19-15)24-10-12-6-3-2-4-7-12/h2-9,11,14,21H,10,18H2,1H3,(H,20,22,23)/t11?,14-/m0/s1
InChIKeyWJYOLLYEZVEMLB-IAXJKZSUSA-N
XLogP0.63
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
[(2S,3R)-2-amino-3-hydroxybutanoyl] 2-phenylmethoxybenzoate
CID 57196601
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide
CID 171504993
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
CID 69444328
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide;hydrochloride
CID 171504992
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
CID 119296786

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide (CID 67691060) is N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide is CC(O)[C@H](N)C(=O)NC(=O)c1ncccc1OCc1ccccc1.
What is the InChIKey of N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is WJYOLLYEZVEMLB-IAXJKZSUSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(21)14(18)16(22)20-17(23)15-13(8-5-9-19-15)24-10-12-6-3-2-4-7-12/h2-9,11,14,21H,10,18H2,1H3,(H,20,22,23)/t11?,14-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide?
N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 67691060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).