N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide

C12H19N3O2 — CID 43086931

IUPACN-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
SMILESCOCCNC(=O)C(C)NCc1ccncc1
InChIInChI=1S/C12H19N3O2/c1-10(12(16)14-7-8-17-2)15-9-11-3-5-13-6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeySZLJVULXSCKBIA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.32
Rot. Bonds7

About N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide

N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide (PubChem CID 43086931) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
PubChem CID43086931
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
SMILESCOCCNC(=O)C(C)NCc1ccncc1
InChIInChI=1S/C12H19N3O2/c1-10(12(16)14-7-8-17-2)15-9-11-3-5-13-6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,14,16)
InChIKeySZLJVULXSCKBIA-UHFFFAOYSA-N
XLogP0.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902705
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-N-(2-methoxyethyl)propanamide
CID 136868891
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 105401683
3-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 103262891
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106399027
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide (CID 43086931) is N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide is COCCNC(=O)C(C)NCc1ccncc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is SZLJVULXSCKBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(12(16)14-7-8-17-2)15-9-11-3-5-13-6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide?
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide has a molecular weight of 237.30 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 43086931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).