1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one

C14H21N3O — CID 79056779

IUPAC1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cccnc1N)N1CCCC1
InChIInChI=1S/C14H21N3O/c1-14(2,17-8-3-4-9-17)12(18)10-11-6-5-7-16-13(11)15/h5-7H,3-4,8-10H2,1-2H3,(H2,15,16)
InChIKeyKRBXOKUUVLKCOG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.65
Rot. Bonds4

About 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one

1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one (PubChem CID 79056779) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
PubChem CID79056779
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cccnc1N)N1CCCC1
InChIInChI=1S/C14H21N3O/c1-14(2,17-8-3-4-9-17)12(18)10-11-6-5-7-16-13(11)15/h5-7H,3-4,8-10H2,1-2H3,(H2,15,16)
InChIKeyKRBXOKUUVLKCOG-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-pyridinyl)-3-ethoxy-3-methylpentan-2-one
CID 116746879
1-(2-amino-3-pyridinyl)-4,4-dimethylpentan-3-one
CID 64503842
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
2-(2-amino-3-pyridinyl)acetohydrazide
CID 130616635
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
2-(2-amino-3-pyridinyl)acetohydrazide;hydrochloride
CID 130616634
2-[(2-amino-3-pyridinyl)methylsulfanyl]-1-piperidin-1-ylethanone
CID 114236147
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658
1-(4-ethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056191
1-(2-amino-3-pyridinyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138744
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-methyl-3-piperidin-1-ylpropanamide
CID 125442236

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one (CID 79056779) is 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one is CC(C)(C(=O)Cc1cccnc1N)N1CCCC1.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The InChIKey is KRBXOKUUVLKCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,17-8-3-4-9-17)12(18)10-11-6-5-7-16-13(11)15/h5-7H,3-4,8-10H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one is sourced from PubChem (CID 79056779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).