N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide

C18H21N3O4 — CID 54526296

IUPACN-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide
SMILESCCCOc1ccnc(C(=O)NC(=O)[C@@H](N)Cc2ccccc2)c1O
InChIInChI=1S/C18H21N3O4/c1-2-10-25-14-8-9-20-15(16(14)22)18(24)21-17(23)13(19)11-12-6-4-3-5-7-12/h3-9,13,22H,2,10-11,19H2,1H3,(H,21,23,24)/t13-/m0/s1
InChIKeyYTIJWAVNQYKLNK-ZDUSSCGKSA-N
MW343.38 g/mol
LogP1.40
Rot. Bonds7

About N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide

N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide (PubChem CID 54526296) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide
PubChem CID54526296
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide
SMILESCCCOc1ccnc(C(=O)NC(=O)[C@@H](N)Cc2ccccc2)c1O
InChIInChI=1S/C18H21N3O4/c1-2-10-25-14-8-9-20-15(16(14)22)18(24)21-17(23)13(19)11-12-6-4-3-5-7-12/h3-9,13,22H,2,10-11,19H2,1H3,(H,21,23,24)/t13-/m0/s1
InChIKeyYTIJWAVNQYKLNK-ZDUSSCGKSA-N
XLogP1.40
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
[(2S)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 146589882
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate
CID 123268993
N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
CID 67691060
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
CID 145115424
(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
CID 79004352

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide (CID 54526296) is N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide is CCCOc1ccnc(C(=O)NC(=O)[C@@H](N)Cc2ccccc2)c1O.
What is the InChIKey of N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide?
The InChIKey is YTIJWAVNQYKLNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-10-25-14-8-9-20-15(16(14)22)18(24)21-17(23)13(19)11-12-6-4-3-5-7-12/h3-9,13,22H,2,10-11,19H2,1H3,(H,21,23,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide?
N-[(2S)-2-amino-3-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.40, 7 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-phenylpropanoyl]-3-hydroxy-4-propoxypyridine-2-carboxamide is sourced from PubChem (CID 54526296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).