3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide

C13H21N3O2 — CID 114145142

IUPAC3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCCN(Cc1cccc(C)n1)C(=O)C(CN)OC
InChIInChI=1S/C13H21N3O2/c1-4-16(13(17)12(8-14)18-3)9-11-7-5-6-10(2)15-11/h5-7,12H,4,8-9,14H2,1-3H3
InChIKeyMTRYKCBXIQUJNY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.71
Rot. Bonds6

About 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide

3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide (PubChem CID 114145142) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
PubChem CID114145142
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
SMILESCCN(Cc1cccc(C)n1)C(=O)C(CN)OC
InChIInChI=1S/C13H21N3O2/c1-4-16(13(17)12(8-14)18-3)9-11-7-5-6-10(2)15-11/h5-7,12H,4,8-9,14H2,1-3H3
InChIKeyMTRYKCBXIQUJNY-UHFFFAOYSA-N
XLogP0.71
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-1-[4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]ethanone
CID 57575029
Acetamide, N,N'-((2,6-pyridylidene)dimethylene)di-
CID 49857
US10800755, Example 17
CID 146330227
US10800755, Example 20
CID 155196358
4-[(6-Methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392251
9-(2-Methoxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392253
9-Butanoyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471495
[2-Methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
N-(1-pyridin-2-ylethyl)oxolane-2-carboxamide
CID 42905811
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]morpholine-4-carboxamide
CID 47332614
1-(2,6-Dimethylmorpholin-4-yl)-2-[(6-methylpyridin-2-yl)methyl-prop-2-ynylamino]ethanone
CID 71988494
5,5-Dimethyl-3-[2-(6-methylpyridin-2-YL)ethyl]-1,3-oxazolidine-2,4-dione
CID 72880886

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide (CID 114145142) is 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide is CCN(Cc1cccc(C)n1)C(=O)C(CN)OC.
What is the InChIKey of 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
The InChIKey is MTRYKCBXIQUJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16(13(17)12(8-14)18-3)9-11-7-5-6-10(2)15-11/h5-7,12H,4,8-9,14H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide?
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 114145142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).