(3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

C23H34N6O3 — CID 54583600

IUPAC(3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC[C@@H]1C[C@@H](C(=O)NCc2cccc(N)n2)CN(Cc2nc(N3CCOCC3)oc2C)C1
InChIInChI=1S/C23H34N6O3/c1-3-17-11-18(22(30)25-12-19-5-4-6-21(24)26-19)14-28(13-17)15-20-16(2)32-23(27-20)29-7-9-31-10-8-29/h4-6,17-18H,3,7-15H2,1-2H3,(H2,24,26)(H,25,30)/t17-,18-/m1/s1
InChIKeyQLIONFHOOFAMST-QZTJIDSGSA-N
MW442.56 g/mol
LogP1.96
Rot. Bonds7

About (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

(3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 54583600) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID54583600
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC Name(3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC[C@@H]1C[C@@H](C(=O)NCc2cccc(N)n2)CN(Cc2nc(N3CCOCC3)oc2C)C1
InChIInChI=1S/C23H34N6O3/c1-3-17-11-18(22(30)25-12-19-5-4-6-21(24)26-19)14-28(13-17)15-20-16(2)32-23(27-20)29-7-9-31-10-8-29/h4-6,17-18H,3,7-15H2,1-2H3,(H2,24,26)(H,25,30)/t17-,18-/m1/s1
InChIKeyQLIONFHOOFAMST-QZTJIDSGSA-N
XLogP1.96
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide (CID 54583600) is (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide is CC[C@@H]1C[C@@H](C(=O)NCc2cccc(N)n2)CN(Cc2nc(N3CCOCC3)oc2C)C1.
What is the InChIKey of (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is QLIONFHOOFAMST-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-3-17-11-18(22(30)25-12-19-5-4-6-21(24)26-19)14-28(13-17)15-20-16(2)32-23(27-20)29-7-9-31-10-8-29/h4-6,17-18H,3,7-15H2,1-2H3,(H2,24,26)(H,25,30)/t17-,18-/m1/s1.
What are the key properties of (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?
(3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 54583600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).