N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide

C24H25N3O4 — CID 56661761

IUPACN-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccncc1
InChIInChI=1S/C24H25N3O4/c28-16-20(14-17-4-2-1-3-5-17)26-24(31)22(15-18-6-8-21(29)9-7-18)27-23(30)19-10-12-25-13-11-19/h1-13,20,22,28-29H,14-16H2,(H,26,31)(H,27,30)/t20-,22-/m0/s1
InChIKeyLEWZAIYGIQCLCR-UNMCSNQZSA-N
MW419.48 g/mol
LogP1.85
Rot. Bonds9

About N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide

N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 56661761) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID56661761
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccncc1
InChIInChI=1S/C24H25N3O4/c28-16-20(14-17-4-2-1-3-5-17)26-24(31)22(15-18-6-8-21(29)9-7-18)27-23(30)19-10-12-25-13-11-19/h1-13,20,22,28-29H,14-16H2,(H,26,31)(H,27,30)/t20-,22-/m0/s1
InChIKeyLEWZAIYGIQCLCR-UNMCSNQZSA-N
XLogP1.85
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 56661761) is N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide is O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccncc1.
What is the InChIKey of N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is LEWZAIYGIQCLCR-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-16-20(14-17-4-2-1-3-5-17)26-24(31)22(15-18-6-8-21(29)9-7-18)27-23(30)19-10-12-25-13-11-19/h1-13,20,22,28-29H,14-16H2,(H,26,31)(H,27,30)/t20-,22-/m0/s1.
What are the key properties of N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide?
N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 1.85, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56661761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).