methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate

C24H23N3O5 — CID 16751778

IUPACmethyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate
SMILESCOC(=O)C[C@@H](Cc1ccc(NC(=O)c2ccc(O)cc2)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C24H23N3O5/c1-32-22(29)14-20(27-24(31)18-3-2-12-25-15-18)13-16-4-8-19(9-5-16)26-23(30)17-6-10-21(28)11-7-17/h2-12,15,20,28H,13-14H2,1H3,(H,26,30)(H,27,31)/t20-/m1/s1
InChIKeyCHRJJHZGTHUJBL-HXUWFJFHSA-N
MW433.46 g/mol
LogP2.94
Rot. Bonds8

About methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate

methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate (PubChem CID 16751778) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate
PubChem CID16751778
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Namemethyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate
SMILESCOC(=O)C[C@@H](Cc1ccc(NC(=O)c2ccc(O)cc2)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C24H23N3O5/c1-32-22(29)14-20(27-24(31)18-3-2-12-25-15-18)13-16-4-8-19(9-5-16)26-23(30)17-6-10-21(28)11-7-17/h2-12,15,20,28H,13-14H2,1H3,(H,26,30)(H,27,31)/t20-/m1/s1
InChIKeyCHRJJHZGTHUJBL-HXUWFJFHSA-N
XLogP2.94
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-3-[4-[(4-hydroxybenzoyl)amino]phenyl]-2-(pyridine-3-carbonylamino)propanoate
CID 102573921
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 67326276
methyl (3S)-3-amino-4-(4-hydroxyphenyl)butanoate;methyl (3S)-3-[(4-tert-butylbenzoyl)amino]-4-(4-hydroxyphenyl)butanoate
CID 159065132
(2S)-2-methoxy-3-[4-[2-[4-(pyridine-3-carbonylamino)phenoxy]ethoxy]phenyl]propanoic acid
CID 58822795
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 47088997
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120596241
methyl 3-(4-chlorophenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 55633058

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate?
The IUPAC name of methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate (CID 16751778) is methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate.
What is the SMILES notation for methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate?
The canonical SMILES for methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate is COC(=O)C[C@@H](Cc1ccc(NC(=O)c2ccc(O)cc2)cc1)NC(=O)c1cccnc1.
What is the InChIKey of methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate?
The InChIKey is CHRJJHZGTHUJBL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-32-22(29)14-20(27-24(31)18-3-2-12-25-15-18)13-16-4-8-19(9-5-16)26-23(30)17-6-10-21(28)11-7-17/h2-12,15,20,28H,13-14H2,1H3,(H,26,30)(H,27,31)/t20-/m1/s1.
What are the key properties of methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate?
methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate has a molecular weight of 433.46 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-[4-[(4-hydroxybenzoyl)amino]phenyl]-3-(pyridine-3-carbonylamino)butanoate is sourced from PubChem (CID 16751778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).