3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide

C12H18ClN3O3 — CID 62179799

IUPAC3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCCOCCOC)n1
InChIInChI=1S/C12H18ClN3O3/c1-14-10-4-3-9(13)11(16-10)12(17)15-5-6-19-8-7-18-2/h3-4H,5-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyORCXFABQAYNAIZ-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.17
Rot. Bonds8

About 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62179799) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
PubChem CID62179799
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC Name3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCCOCCOC)n1
InChIInChI=1S/C12H18ClN3O3/c1-14-10-4-3-9(13)11(16-10)12(17)15-5-6-19-8-7-18-2/h3-4H,5-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyORCXFABQAYNAIZ-UHFFFAOYSA-N
XLogP1.17
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050247
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 55047188
3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide
CID 114120793
3-chloro-6-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106422909
3-chloro-6-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011360
3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 113225696
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042
3-chloro-N-cyclobutyl-6-(methylamino)pyridine-2-carboxamide
CID 62415036
3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62166943

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide (CID 62179799) is 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCCOCCOC)n1.
What is the InChIKey of 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is ORCXFABQAYNAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3/c1-14-10-4-3-9(13)11(16-10)12(17)15-5-6-19-8-7-18-2/h3-4H,5-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62179799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).