2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide

C13H21N3O — CID 113406700

IUPAC2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ccncc1CNC(C)C(=O)NC(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)16-13(17)11(4)15-8-12-7-14-6-5-10(12)3/h5-7,9,11,15H,8H2,1-4H3,(H,16,17)
InChIKeySENNCBQMKLAJFB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds5

About 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide

2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 113406700) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID113406700
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1ccncc1CNC(C)C(=O)NC(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)16-13(17)11(4)15-8-12-7-14-6-5-10(12)3/h5-7,9,11,15H,8H2,1-4H3,(H,16,17)
InChIKeySENNCBQMKLAJFB-UHFFFAOYSA-N
XLogP1.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406667
2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114955965
2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile
CID 114955540
N-(2-methylbutan-2-yl)-2-[(3-methyl-4-pyridinyl)methylamino]propanamide
CID 114699824
1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 82939347
2-[(2-chloro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 106863106
2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
4-methyl-2-[(4-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114957104
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 113406905
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide (CID 113406700) is 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide is Cc1ccncc1CNC(C)C(=O)NC(C)C.
What is the InChIKey of 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is SENNCBQMKLAJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)16-13(17)11(4)15-8-12-7-14-6-5-10(12)3/h5-7,9,11,15H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide?
2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).