(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

C20H24N4O3 — CID 162634756

IUPAC(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCc2cccnc2N)[C@H]1c1ccccc1
InChIInChI=1S/C20H24N4O3/c1-13(2)24-16(25)12-27-18(17(24)14-7-4-3-5-8-14)20(26)23-11-15-9-6-10-22-19(15)21/h3-10,13,17-18H,11-12H2,1-2H3,(H2,21,22)(H,23,26)/t17-,18+/m1/s1
InChIKeyOFLMTKHCPIOVLF-MSOLQXFVSA-N
MW368.44 g/mol
LogP1.66
Rot. Bonds5

About (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (PubChem CID 162634756) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
PubChem CID162634756
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCC(C)N1C(=O)CO[C@H](C(=O)NCc2cccnc2N)[C@H]1c1ccccc1
InChIInChI=1S/C20H24N4O3/c1-13(2)24-16(25)12-27-18(17(24)14-7-4-3-5-8-14)20(26)23-11-15-9-6-10-22-19(15)21/h3-10,13,17-18H,11-12H2,1-2H3,(H2,21,22)(H,23,26)/t17-,18+/m1/s1
InChIKeyOFLMTKHCPIOVLF-MSOLQXFVSA-N
XLogP1.66
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (CID 162634756) is (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is CC(C)N1C(=O)CO[C@H](C(=O)NCc2cccnc2N)[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is OFLMTKHCPIOVLF-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)24-16(25)12-27-18(17(24)14-7-4-3-5-8-14)20(26)23-11-15-9-6-10-22-19(15)21/h3-10,13,17-18H,11-12H2,1-2H3,(H2,21,22)(H,23,26)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
(2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(2-amino-3-pyridinyl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 162634756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).