N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide

C23H26N4O4 — CID 134130468

IUPACN-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide
SMILESO=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1
InChIInChI=1S/C23H26N4O4/c28-15-19(13-17-8-5-11-25-21(17)29)26-23(31)20(12-16-6-2-1-3-7-16)27-22(30)18-9-4-10-24-14-18/h1-4,6-7,9-10,14-15,17,19-20H,5,8,11-13H2,(H,25,29)(H,26,31)(H,27,30)/t17-,19-,20-/m0/s1
InChIKeyMRSLOVPEAJVWLL-IHPCNDPISA-N
MW422.49 g/mol
LogP1.02
Rot. Bonds9

About N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide

N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 134130468) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide
PubChem CID134130468
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide
SMILESO=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1
InChIInChI=1S/C23H26N4O4/c28-15-19(13-17-8-5-11-25-21(17)29)26-23(31)20(12-16-6-2-1-3-7-16)27-22(30)18-9-4-10-24-14-18/h1-4,6-7,9-10,14-15,17,19-20H,5,8,11-13H2,(H,25,29)(H,26,31)(H,27,30)/t17-,19-,20-/m0/s1
InChIKeyMRSLOVPEAJVWLL-IHPCNDPISA-N
XLogP1.02
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide (CID 134130468) is N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide is O=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1.
What is the InChIKey of N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is MRSLOVPEAJVWLL-IHPCNDPISA-N. The full InChI is InChI=1S/C23H26N4O4/c28-15-19(13-17-8-5-11-25-21(17)29)26-23(31)20(12-16-6-2-1-3-7-16)27-22(30)18-9-4-10-24-14-18/h1-4,6-7,9-10,14-15,17,19-20H,5,8,11-13H2,(H,25,29)(H,26,31)(H,27,30)/t17-,19-,20-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide?
N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134130468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).