(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone

C17H19N3O — CID 118768512

IUPAC(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone
SMILESCc1cccc(-c2ccc(C(=O)N3CCC(N)C3)cc2)n1
InChIInChI=1S/C17H19N3O/c1-12-3-2-4-16(19-12)13-5-7-14(8-6-13)17(21)20-10-9-15(18)11-20/h2-8,15H,9-11,18H2,1H3
InChIKeyWKPRIQNQVLWAOY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.23
Rot. Bonds2

About (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone

(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone (PubChem CID 118768512) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone
PubChem CID118768512
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone
SMILESCc1cccc(-c2ccc(C(=O)N3CCC(N)C3)cc2)n1
InChIInChI=1S/C17H19N3O/c1-12-3-2-4-16(19-12)13-5-7-14(8-6-13)17(21)20-10-9-15(18)11-20/h2-8,15H,9-11,18H2,1H3
InChIKeyWKPRIQNQVLWAOY-UHFFFAOYSA-N
XLogP2.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
(3-aminopyrrolidin-1-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-6-yl]phenyl]methanone
CID 164553454
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
[4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone
CID 119071315
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
[(3R)-3-aminopyrrolidin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 119409665

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone (CID 118768512) is (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone is Cc1cccc(-c2ccc(C(=O)N3CCC(N)C3)cc2)n1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone?
The InChIKey is WKPRIQNQVLWAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-3-2-4-16(19-12)13-5-7-14(8-6-13)17(21)20-10-9-15(18)11-20/h2-8,15H,9-11,18H2,1H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone?
(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone has a molecular weight of 281.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone is sourced from PubChem (CID 118768512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).