[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

C19H23N3O — CID 102542918

IUPAC[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1nc(N(C)C)ccc1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-14-16(11-12-18(20-14)21(2)3)17-10-7-13-22(17)19(23)15-8-5-4-6-9-15/h4-6,8-9,11-12,17H,7,10,13H2,1-3H3
InChIKeyPSGKMULVQBQGQR-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.43
Rot. Bonds3

About [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone

[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 102542918) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID102542918
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1nc(N(C)C)ccc1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-14-16(11-12-18(20-14)21(2)3)17-10-7-13-22(17)19(23)15-8-5-4-6-9-15/h4-6,8-9,11-12,17H,7,10,13H2,1-3H3
InChIKeyPSGKMULVQBQGQR-UHFFFAOYSA-N
XLogP3.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(6-amino-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102542837
[2-(6-methoxy-2-methyl-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102542591
[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102539784
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
CID 102541984
(2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl)-phenylmethanone
CID 110100074
2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid
CID 175376413
[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102541890
phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 102539451
(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119721832
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110218333
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941

Frequently Asked Questions

What is the IUPAC name of [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone (CID 102542918) is [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is Cc1nc(N(C)C)ccc1C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is PSGKMULVQBQGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-16(11-12-18(20-14)21(2)3)17-10-7-13-22(17)19(23)15-8-5-4-6-9-15/h4-6,8-9,11-12,17H,7,10,13H2,1-3H3.
What are the key properties of [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone?
[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 309.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 102542918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).