N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide

C22H29N3O2 — CID 95710206

IUPACN-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)nc1
InChIInChI=1S/C22H29N3O2/c1-3-25(2)22(27)17-8-10-21(24-15-17)18-12-16(13-20(26)14-18)7-9-19-6-4-5-11-23-19/h8,10,12-15,19,23,26H,3-7,9,11H2,1-2H3/t19-/m1/s1
InChIKeyXXIWYBKVTJXQFJ-LJQANCHMSA-N
MW367.49 g/mol
LogP3.62
Rot. Bonds6

About N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide

N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide (PubChem CID 95710206) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide
PubChem CID95710206
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)nc1
InChIInChI=1S/C22H29N3O2/c1-3-25(2)22(27)17-8-10-21(24-15-17)18-12-16(13-20(26)14-18)7-9-19-6-4-5-11-23-19/h8,10,12-15,19,23,26H,3-7,9,11H2,1-2H3/t19-/m1/s1
InChIKeyXXIWYBKVTJXQFJ-LJQANCHMSA-N
XLogP3.62
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide (CID 95710206) is N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide is CCN(C)C(=O)c1ccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)nc1.
What is the InChIKey of N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide?
The InChIKey is XXIWYBKVTJXQFJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-25(2)22(27)17-8-10-21(24-15-17)18-12-16(13-20(26)14-18)7-9-19-6-4-5-11-23-19/h8,10,12-15,19,23,26H,3-7,9,11H2,1-2H3/t19-/m1/s1.
What are the key properties of N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide?
N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 95710206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).