6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide

C19H25N3O3 — CID 36700403

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)o1
InChIInChI=1S/C19H25N3O3/c1-12-5-7-17(25-12)15(4)21-19(23)16-6-8-18(20-9-16)22-10-13(2)24-14(3)11-22/h5-9,13-15H,10-11H2,1-4H3,(H,21,23)/t13-,14+,15-/m1/s1
InChIKeyFGEGZWLGVIQIFE-QLFBSQMISA-N
MW343.43 g/mol
LogP3.09
Rot. Bonds4

About 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 36700403) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID36700403
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)o1
InChIInChI=1S/C19H25N3O3/c1-12-5-7-17(25-12)15(4)21-19(23)16-6-8-18(20-9-16)22-10-13(2)24-14(3)11-22/h5-9,13-15H,10-11H2,1-4H3,(H,21,23)/t13-,14+,15-/m1/s1
InChIKeyFGEGZWLGVIQIFE-QLFBSQMISA-N
XLogP3.09
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide (CID 36700403) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)o1.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is FGEGZWLGVIQIFE-QLFBSQMISA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-5-7-17(25-12)15(4)21-19(23)16-6-8-18(20-9-16)22-10-13(2)24-14(3)11-22/h5-9,13-15H,10-11H2,1-4H3,(H,21,23)/t13-,14+,15-/m1/s1.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 36700403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).