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

C12H19N3O — CID 114955965

IUPAC2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1cnccc1C
InChIInChI=1S/C12H19N3O/c1-9-4-5-14-7-11(9)8-15-12(16)10(2)6-13-3/h4-5,7,10,13H,6,8H2,1-3H3,(H,15,16)
InChIKeyUISOCEJSUBKXHE-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.86
Rot. Bonds5

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

2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide (PubChem CID 114955965) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
PubChem CID114955965
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1cnccc1C
InChIInChI=1S/C12H19N3O/c1-9-4-5-14-7-11(9)8-15-12(16)10(2)6-13-3/h4-5,7,10,13H,6,8H2,1-3H3,(H,15,16)
InChIKeyUISOCEJSUBKXHE-UHFFFAOYSA-N
XLogP0.86
TPSA54.02 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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
4-methyl-2-[(4-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 114957104
ethyl 3,3-dimethyl-2-[(4-methyl-3-pyridinyl)methylcarbamoyl]butanoate
CID 114957287
2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide
CID 113406700
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
CID 114955951
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
3-[ethyl-[(4-methyl-3-pyridinyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114957124
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide (CID 114955965) is 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide is CNCC(C)C(=O)NCc1cnccc1C.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
The InChIKey is UISOCEJSUBKXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-5-14-7-11(9)8-15-12(16)10(2)6-13-3/h4-5,7,10,13H,6,8H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide?
2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 114955965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).