6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide

C14H21ClN2O3 — CID 82966067

IUPAC6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H21ClN2O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)12-5-6-13(15)16-11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyIRYQQCDOELUGMH-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.25
Rot. Bonds9

About 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide

6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide (PubChem CID 82966067) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
PubChem CID82966067
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H21ClN2O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)12-5-6-13(15)16-11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyIRYQQCDOELUGMH-UHFFFAOYSA-N
XLogP2.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82961174
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
CID 82960871
N-(2-ethoxyethyl)-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 63692575
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
6-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052322
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965080
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide (CID 82966067) is 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide is CCOCCN(CCOCC)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide?
The InChIKey is IRYQQCDOELUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)12-5-6-13(15)16-11-12/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide?
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 82966067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).