N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide

C11H17N3O — CID 106753602

IUPACN-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
SMILESCCNCCNC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H17N3O/c1-3-12-6-7-14-11(15)10-4-5-13-9(2)8-10/h4-5,8,12H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyPRNLOKHXTZDVSR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.73
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide

N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide (PubChem CID 106753602) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
PubChem CID106753602
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
SMILESCCNCCNC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H17N3O/c1-3-12-6-7-14-11(15)10-4-5-13-9(2)8-10/h4-5,8,12H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyPRNLOKHXTZDVSR-UHFFFAOYSA-N
XLogP0.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752465
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 23251114
N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106753404
N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
CID 106754279
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-carboxamide
CID 106753359
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide (CID 106753602) is N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide is CCNCCNC(=O)c1ccnc(C)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide?
The InChIKey is PRNLOKHXTZDVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-12-6-7-14-11(15)10-4-5-13-9(2)8-10/h4-5,8,12H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide?
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).