5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide

C12H19N3O2 — CID 81053194

IUPAC5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C12H19N3O2/c1-3-17-7-6-15(2)12(16)11-5-4-10(8-13)9-14-11/h4-5,9H,3,6-8,13H2,1-2H3
InChIKeyBQPRRRXHMVOSCM-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.65
Rot. Bonds6

About 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide

5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide (PubChem CID 81053194) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
PubChem CID81053194
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C12H19N3O2/c1-3-17-7-6-15(2)12(16)11-5-4-10(8-13)9-14-11/h4-5,9H,3,6-8,13H2,1-2H3
InChIKeyBQPRRRXHMVOSCM-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 63722720
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82961058
5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
CID 55229815
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81058548
5-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 63724556
4-amino-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81074023
5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965848
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63723539
5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63723030
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63722518
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79384484

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide (CID 81053194) is 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide is CCOCCN(C)C(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is BQPRRRXHMVOSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-7-6-15(2)12(16)11-5-4-10(8-13)9-14-11/h4-5,9H,3,6-8,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide?
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 81053194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).