[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone

C14H21N3O — CID 114269670

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
SMILESCc1cc(C)nc(C(=O)N2CC(CN)CC2C)c1
InChIInChI=1S/C14H21N3O/c1-9-4-10(2)16-13(5-9)14(18)17-8-12(7-15)6-11(17)3/h4-5,11-12H,6-8,15H2,1-3H3
InChIKeyHUYJTKSVFSEIAU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.51
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone (PubChem CID 114269670) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
PubChem CID114269670
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone
SMILESCc1cc(C)nc(C(=O)N2CC(CN)CC2C)c1
InChIInChI=1S/C14H21N3O/c1-9-4-10(2)16-13(5-9)14(18)17-8-12(7-15)6-11(17)3/h4-5,11-12H,6-8,15H2,1-3H3
InChIKeyHUYJTKSVFSEIAU-UHFFFAOYSA-N
XLogP1.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 115491804
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 103840438
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 113322421
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 115491771
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 103840444
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103840455
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 113322442
3-[4-(aminomethyl)-2-methylpyrrolidine-1-carbonyl]chromen-2-one
CID 115491991
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 115491706
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 115491945

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone (CID 114269670) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone is Cc1cc(C)nc(C(=O)N2CC(CN)CC2C)c1.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone?
The InChIKey is HUYJTKSVFSEIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-4-10(2)16-13(5-9)14(18)17-8-12(7-15)6-11(17)3/h4-5,11-12H,6-8,15H2,1-3H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4,6-dimethyl-2-pyridinyl)methanone is sourced from PubChem (CID 114269670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).