N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide

C11H17N3O2 — CID 62185207

IUPACN-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCOCCNC(=O)c1ccnc(NC)c1
InChIInChI=1S/C11H17N3O2/c1-3-16-7-6-14-11(15)9-4-5-13-10(8-9)12-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBWJNTRSDSXSCLM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.89
Rot. Bonds6

About N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide

N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 62185207) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID62185207
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCOCCNC(=O)c1ccnc(NC)c1
InChIInChI=1S/C11H17N3O2/c1-3-16-7-6-14-11(15)9-4-5-13-10(8-9)12-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBWJNTRSDSXSCLM-UHFFFAOYSA-N
XLogP0.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.89
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-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175030
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 74243419
2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide
CID 54236926
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide (CID 62185207) is N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide is CCOCCNC(=O)c1ccnc(NC)c1.
What is the InChIKey of N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is BWJNTRSDSXSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-7-6-14-11(15)9-4-5-13-10(8-9)12-2/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide?
N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62185207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).