N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide

C11H17N3O — CID 81407253

IUPACN-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
SMILESCNC(=O)C(C)N[C@H](C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-8(10-6-4-5-7-13-10)14-9(2)11(15)12-3/h4-9,14H,1-3H3,(H,12,15)/t8-,9?/m1/s1
InChIKeyFDUKJQVCWOCJLB-VEDVMXKPSA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds4

About N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide

N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide (PubChem CID 81407253) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
PubChem CID81407253
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
SMILESCNC(=O)C(C)N[C@H](C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-8(10-6-4-5-7-13-10)14-9(2)11(15)12-3/h4-9,14H,1-3H3,(H,12,15)/t8-,9?/m1/s1
InChIKeyFDUKJQVCWOCJLB-VEDVMXKPSA-N
XLogP0.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide?
The IUPAC name of N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide (CID 81407253) is N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide is CNC(=O)C(C)N[C@H](C)c1ccccn1.
What is the InChIKey of N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide?
The InChIKey is FDUKJQVCWOCJLB-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(10-6-4-5-7-13-10)14-9(2)11(15)12-3/h4-9,14H,1-3H3,(H,12,15)/t8-,9?/m1/s1.
What are the key properties of N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide?
N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide has a molecular weight of 207.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide is sourced from PubChem (CID 81407253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).