4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide

C14H21ClN2O3 — CID 82965080

IUPAC4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H21ClN2O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)13-11-12(15)5-6-16-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyRHOGQKHKHSQARP-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.25
Rot. Bonds9

About 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide

4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide (PubChem CID 82965080) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
PubChem CID82965080
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H21ClN2O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)13-11-12(15)5-6-16-13/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyRHOGQKHKHSQARP-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 60776063
4-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 61052509
4-amino-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81074023
5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965848
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82966067
5,6-dichloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82961174
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
CID 82960004
N,N-bis(2-ethoxyethyl)-6-(methylamino)pyridine-2-carboxamide
CID 82941671
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide (CID 82965080) is 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide is CCOCCN(CCOCC)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide?
The InChIKey is RHOGQKHKHSQARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-19-9-7-17(8-10-20-4-2)14(18)13-11-12(15)5-6-16-13/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide?
4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-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 4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 82965080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).