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

C22H29N3O2 — CID 95553212

IUPAC6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1
InChIInChI=1S/C22H29N3O2/c1-2-10-24-22(27)17-7-9-21(25-15-17)18-12-16(13-20(26)14-18)6-8-19-5-3-4-11-23-19/h7,9,12-15,19,23,26H,2-6,8,10-11H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyCHLZYFUOAJKJEY-IBGZPJMESA-N
MW367.49 g/mol
LogP3.67
Rot. Bonds7

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

6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide (PubChem CID 95553212) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
PubChem CID95553212
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1
InChIInChI=1S/C22H29N3O2/c1-2-10-24-22(27)17-7-9-21(25-15-17)18-12-16(13-20(26)14-18)6-8-19-5-3-4-11-23-19/h7,9,12-15,19,23,26H,2-6,8,10-11H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyCHLZYFUOAJKJEY-IBGZPJMESA-N
XLogP3.67
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
CID 56750474
6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 95476511
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56880401
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
CID 56868049
N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide
CID 118781403

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide (CID 95553212) is 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc1.
What is the InChIKey of 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide?
The InChIKey is CHLZYFUOAJKJEY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-10-24-22(27)17-7-9-21(25-15-17)18-12-16(13-20(26)14-18)6-8-19-5-3-4-11-23-19/h7,9,12-15,19,23,26H,2-6,8,10-11H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide?
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 95553212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).