(2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide

C12H19N3O2 — CID 75520532

IUPAC(2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide
SMILESCCOc1cccc(CN(C)[C@H](C)C(N)=O)n1
InChIInChI=1S/C12H19N3O2/c1-4-17-11-7-5-6-10(14-11)8-15(3)9(2)12(13)16/h5-7,9H,4,8H2,1-3H3,(H2,13,16)/t9-/m1/s1
InChIKeyUVAWYGYYATVPIF-SECBINFHSA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds6

About (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide

(2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide (PubChem CID 75520532) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide
PubChem CID75520532
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide
SMILESCCOc1cccc(CN(C)[C@H](C)C(N)=O)n1
InChIInChI=1S/C12H19N3O2/c1-4-17-11-7-5-6-10(14-11)8-15(3)9(2)12(13)16/h5-7,9H,4,8H2,1-3H3,(H2,13,16)/t9-/m1/s1
InChIKeyUVAWYGYYATVPIF-SECBINFHSA-N
XLogP0.79
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide (CID 75520532) is (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide is CCOc1cccc(CN(C)[C@H](C)C(N)=O)n1.
What is the InChIKey of (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide?
The InChIKey is UVAWYGYYATVPIF-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-17-11-7-5-6-10(14-11)8-15(3)9(2)12(13)16/h5-7,9H,4,8H2,1-3H3,(H2,13,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide?
(2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide has a molecular weight of 237.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-ethoxy-2-pyridinyl)methyl-methylamino]propanamide is sourced from PubChem (CID 75520532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).