4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide

C11H18N4O — CID 66427540

IUPAC4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
SMILESCN(Cc1ccccn1)C(CN)CC(N)=O
InChIInChI=1S/C11H18N4O/c1-15(10(7-12)6-11(13)16)8-9-4-2-3-5-14-9/h2-5,10H,6-8,12H2,1H3,(H2,13,16)
InChIKeyLFXQQOJURXICIU-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.28
Rot. Bonds6

About 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide

4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide (PubChem CID 66427540) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
PubChem CID66427540
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
SMILESCN(Cc1ccccn1)C(CN)CC(N)=O
InChIInChI=1S/C11H18N4O/c1-15(10(7-12)6-11(13)16)8-9-4-2-3-5-14-9/h2-5,10H,6-8,12H2,1H3,(H2,13,16)
InChIKeyLFXQQOJURXICIU-UHFFFAOYSA-N
XLogP-0.28
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[methyl(pyridin-2-ylmethyl)amino]-N-propan-2-ylbutanamide
CID 66430158
4-amino-N-cyclopropyl-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66431406
4-amino-N,N-diethyl-3-[methyl(2-pyridin-2-ylethyl)amino]butanamide
CID 66430451
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide
CID 107471201
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365
1-hydroxy-1-(pyridin-2-ylmethyl)urea
CID 10374807

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide?
The IUPAC name of 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide (CID 66427540) is 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide.
What is the SMILES notation for 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide?
The canonical SMILES for 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide is CN(Cc1ccccn1)C(CN)CC(N)=O.
What is the InChIKey of 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide?
The InChIKey is LFXQQOJURXICIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(10(7-12)6-11(13)16)8-9-4-2-3-5-14-9/h2-5,10H,6-8,12H2,1H3,(H2,13,16).
What are the key properties of 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide?
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide has a molecular weight of 222.29 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 66427540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).