(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone

C21H21N3O2 — CID 56720609

IUPAC(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)ccn1
InChIInChI=1S/C21H21N3O2/c22-20-12-17(7-9-23-20)21(26)24-10-8-18(19(25)13-24)16-6-5-14-3-1-2-4-15(14)11-16/h1-7,9,11-12,18-19,25H,8,10,13H2,(H2,22,23)/t18-,19+/m0/s1
InChIKeyFAQMMQSRNPLMBE-RBUKOAKNSA-N
MW347.42 g/mol
LogP2.81
Rot. Bonds2

About (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone

(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone (PubChem CID 56720609) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
PubChem CID56720609
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)ccn1
InChIInChI=1S/C21H21N3O2/c22-20-12-17(7-9-23-20)21(26)24-10-8-18(19(25)13-24)16-6-5-14-3-1-2-4-15(14)11-16/h1-7,9,11-12,18-19,25H,8,10,13H2,(H2,22,23)/t18-,19+/m0/s1
InChIKeyFAQMMQSRNPLMBE-RBUKOAKNSA-N
XLogP2.81
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56723097
(3-amino-1H-pyrazol-5-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 50974295
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133121327
2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide
CID 50983878
2-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 75595348
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 50952696
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
(3-naphthalen-2-ylpyrrolidin-1-yl)-phenylmethanone
CID 140969221
methyl 1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 50972858

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone (CID 56720609) is (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone is Nc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
The InChIKey is FAQMMQSRNPLMBE-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H21N3O2/c22-20-12-17(7-9-23-20)21(26)24-10-8-18(19(25)13-24)16-6-5-14-3-1-2-4-15(14)11-16/h1-7,9,11-12,18-19,25H,8,10,13H2,(H2,22,23)/t18-,19+/m0/s1.
What are the key properties of (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone?
(2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 56720609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).