[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone

C22H22N2O3 — CID 175641852

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone
SMILESCOc1cc(-c2ccc3cc(C(=O)N4CCC[C@H]4CO)ccc3c2)ccn1
InChIInChI=1S/C22H22N2O3/c1-27-21-13-18(8-9-23-21)16-4-5-17-12-19(7-6-15(17)11-16)22(26)24-10-2-3-20(24)14-25/h4-9,11-13,20,25H,2-3,10,14H2,1H3/t20-/m0/s1
InChIKeyNICVRWDSHFRKIO-FQEVSTJZSA-N
MW362.43 g/mol
LogP3.51
Rot. Bonds4

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone (PubChem CID 175641852) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone
PubChem CID175641852
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone
SMILESCOc1cc(-c2ccc3cc(C(=O)N4CCC[C@H]4CO)ccc3c2)ccn1
InChIInChI=1S/C22H22N2O3/c1-27-21-13-18(8-9-23-21)16-4-5-17-12-19(7-6-15(17)11-16)22(26)24-10-2-3-20(24)14-25/h4-9,11-13,20,25H,2-3,10,14H2,1H3/t20-/m0/s1
InChIKeyNICVRWDSHFRKIO-FQEVSTJZSA-N
XLogP3.51
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone with MolForge

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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
(4-hydroxy-3-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473392
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(3-hydroxy-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79726071
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(3,5-dimethoxy-4-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411271
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[4-methoxy-3-(trifluoromethyl)phenyl]phenyl]methanone
CID 118762871
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70715141
[2-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methanone
CID 119064462
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 62173776
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262411

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone (CID 175641852) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone is COc1cc(-c2ccc3cc(C(=O)N4CCC[C@H]4CO)ccc3c2)ccn1.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone?
The InChIKey is NICVRWDSHFRKIO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-21-13-18(8-9-23-21)16-4-5-17-12-19(7-6-15(17)11-16)22(26)24-10-2-3-20(24)14-25/h4-9,11-13,20,25H,2-3,10,14H2,1H3/t20-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone is sourced from PubChem (CID 175641852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).