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

C12H19N3O2 — CID 79196113

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1cccnc1OC
InChIInChI=1S/C12H19N3O2/c1-9(7-13-2)11(16)15-8-10-5-4-6-14-12(10)17-3/h4-6,9,13H,7-8H2,1-3H3,(H,15,16)
InChIKeyVGHLSIKMKIWXQI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.56
Rot. Bonds6

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

N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79196113) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79196113
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1cccnc1OC
InChIInChI=1S/C12H19N3O2/c1-9(7-13-2)11(16)15-8-10-5-4-6-14-12(10)17-3/h4-6,9,13H,7-8H2,1-3H3,(H,15,16)
InChIKeyVGHLSIKMKIWXQI-UHFFFAOYSA-N
XLogP0.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide (CID 79196113) is N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCc1cccnc1OC.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is VGHLSIKMKIWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(7-13-2)11(16)15-8-10-5-4-6-14-12(10)17-3/h4-6,9,13H,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide?
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 237.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79196113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).