3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide

C12H19N3O — CID 104580210

IUPAC3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
SMILESCc1ccncc1CNC(C)(C)CC(N)=O
InChIInChI=1S/C12H19N3O/c1-9-4-5-14-7-10(9)8-15-12(2,3)6-11(13)16/h4-5,7,15H,6,8H2,1-3H3,(H2,13,16)
InChIKeyMOKLUESSHVTGON-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.13
Rot. Bonds5

About 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide

3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide (PubChem CID 104580210) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
PubChem CID104580210
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
SMILESCc1ccncc1CNC(C)(C)CC(N)=O
InChIInChI=1S/C12H19N3O/c1-9-4-5-14-7-10(9)8-15-12(2,3)6-11(13)16/h4-5,7,15H,6,8H2,1-3H3,(H2,13,16)
InChIKeyMOKLUESSHVTGON-UHFFFAOYSA-N
XLogP1.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
CID 107249231
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
5-[(4-methyl-3-pyridinyl)methylamino]pentanamide
CID 106234501
3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide
CID 104580146
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
2-amino-2-cyclopropyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114956009
3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
CID 103529899
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butanamide
CID 106096039
2-amino-3-methyl-5-[(4-methyl-3-pyridinyl)methylamino]benzoic acid
CID 114954612
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-hydrazinylpyridine-3-carboxamide
CID 106098486
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide
CID 114143178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide?
The IUPAC name of 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide (CID 104580210) is 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide.
What is the SMILES notation for 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide?
The canonical SMILES for 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide is Cc1ccncc1CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide?
The InChIKey is MOKLUESSHVTGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-5-14-7-10(9)8-15-12(2,3)6-11(13)16/h4-5,7,15H,6,8H2,1-3H3,(H2,13,16).
What are the key properties of 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide?
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide is sourced from PubChem (CID 104580210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).