[4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C22H21N3O2 — CID 163306466

IUPAC[4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCCC3c3cccnc3)cc2)ccc1O
InChIInChI=1S/C22H21N3O2/c1-15-21(26)11-10-19(24-15)16-6-8-17(9-7-16)22(27)25-13-3-5-20(25)18-4-2-12-23-14-18/h2,4,6-12,14,20,26H,3,5,13H2,1H3
InChIKeySEAYRYQJUGORNM-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.13
Rot. Bonds3

About [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

[4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 163306466) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID163306466
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name[4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCCC3c3cccnc3)cc2)ccc1O
InChIInChI=1S/C22H21N3O2/c1-15-21(26)11-10-19(24-15)16-6-8-17(9-7-16)22(27)25-13-3-5-20(25)18-4-2-12-23-14-18/h2,4,6-12,14,20,26H,3,5,13H2,1H3
InChIKeySEAYRYQJUGORNM-UHFFFAOYSA-N
XLogP4.13
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 119061895
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(2-amino-1,3-benzothiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 155494071

Frequently Asked Questions

What is the IUPAC name of [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 163306466) is [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is Cc1nc(-c2ccc(C(=O)N3CCCC3c3cccnc3)cc2)ccc1O.
What is the InChIKey of [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is SEAYRYQJUGORNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-21(26)11-10-19(24-15)16-6-8-17(9-7-16)22(27)25-13-3-5-20(25)18-4-2-12-23-14-18/h2,4,6-12,14,20,26H,3,5,13H2,1H3.
What are the key properties of [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
[4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-hydroxy-6-methyl-2-pyridinyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 163306466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).