(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide

C11H18N4O — CID 124681136

IUPAC(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@H](C)CN(C)c1cncc(N)c1
InChIInChI=1S/C11H18N4O/c1-8(11(16)13-2)7-15(3)10-4-9(12)5-14-6-10/h4-6,8H,7,12H2,1-3H3,(H,13,16)/t8-/m1/s1
InChIKeyDZQWILZPMAXGIV-MRVPVSSYSA-N
MW222.29 g/mol
LogP0.48
Rot. Bonds4

About (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide

(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 124681136) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
PubChem CID124681136
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@H](C)CN(C)c1cncc(N)c1
InChIInChI=1S/C11H18N4O/c1-8(11(16)13-2)7-15(3)10-4-9(12)5-14-6-10/h4-6,8H,7,12H2,1-3H3,(H,13,16)/t8-/m1/s1
InChIKeyDZQWILZPMAXGIV-MRVPVSSYSA-N
XLogP0.48
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-[methyl-(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 106918884
3-(3-amino-5-ethoxy-N-methylanilino)-N,2-dimethylpropanamide
CID 106914296
3-[(5-amino-1,3-thiazol-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106914413
N,2-dimethyl-3-[methyl-[6-(methylamino)pyrazin-2-yl]amino]propanamide
CID 106918612
2-amino-3-methyl-5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106914407
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
CID 106914273
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 106917773
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide (CID 124681136) is (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)[C@H](C)CN(C)c1cncc(N)c1.
What is the InChIKey of (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is DZQWILZPMAXGIV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(11(16)13-2)7-15(3)10-4-9(12)5-14-6-10/h4-6,8H,7,12H2,1-3H3,(H,13,16)/t8-/m1/s1.
What are the key properties of (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 124681136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).