2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide

C21H21N3O2 — CID 50983878

IUPAC2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C21H21N3O2/c22-20(26)18-6-3-10-23-21(18)24-11-9-17(19(25)13-24)16-8-7-14-4-1-2-5-15(14)12-16/h1-8,10,12,17,19,25H,9,11,13H2,(H2,22,26)/t17-,19+/m0/s1
InChIKeyNZBZXRGYIGVUCP-PKOBYXMFSA-N
MW347.42 g/mol
LogP2.69
Rot. Bonds3

About 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide

2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide (PubChem CID 50983878) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide
PubChem CID50983878
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C21H21N3O2/c22-20(26)18-6-3-10-23-21(18)24-11-9-17(19(25)13-24)16-8-7-14-4-1-2-5-15(14)12-16/h1-8,10,12,17,19,25H,9,11,13H2,(H2,22,26)/t17-,19+/m0/s1
InChIKeyNZBZXRGYIGVUCP-PKOBYXMFSA-N
XLogP2.69
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 75595348
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56720609
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 133113211
2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135120865
(3S,4S)-1-(6-ethylpyrimidin-4-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56706134
2-[2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridine-3-carboxylic acid
CID 66876216
2-(3-hydroxypyrrolidin-1-yl)pyridine-3-carbothioamide
CID 62942859
(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56720699
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide (CID 50983878) is 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1.
What is the InChIKey of 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is NZBZXRGYIGVUCP-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H21N3O2/c22-20(26)18-6-3-10-23-21(18)24-11-9-17(19(25)13-24)16-8-7-14-4-1-2-5-15(14)12-16/h1-8,10,12,17,19,25H,9,11,13H2,(H2,22,26)/t17-,19+/m0/s1.
What are the key properties of 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide?
2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 50983878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).