2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one

C16H25N3O — CID 56792624

IUPAC2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC1CNc1cccc(C)n1
InChIInChI=1S/C16H25N3O/c1-4-12(2)16(20)19-10-6-8-14(19)11-17-15-9-5-7-13(3)18-15/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,17,18)
InChIKeySGSTZAXJLKAIIC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one

2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 56792624) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
PubChem CID56792624
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC1CNc1cccc(C)n1
InChIInChI=1S/C16H25N3O/c1-4-12(2)16(20)19-10-6-8-14(19)11-17-15-9-5-7-13(3)18-15/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,17,18)
InChIKeySGSTZAXJLKAIIC-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one (CID 56792624) is 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one is CCC(C)C(=O)N1CCCC1CNc1cccc(C)n1.
What is the InChIKey of 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is SGSTZAXJLKAIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-12(2)16(20)19-10-6-8-14(19)11-17-15-9-5-7-13(3)18-15/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 56792624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).