4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide

C12H17ClN2O2 — CID 82948658

IUPAC4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCOCCN(C(=O)c1cnccc1Cl)C(C)C
InChIInChI=1S/C12H17ClN2O2/c1-9(2)15(6-7-17-3)12(16)10-8-14-5-4-11(10)13/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYVZQULCDYAOPEM-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.23
Rot. Bonds5

About 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide

4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 82948658) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID82948658
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCOCCN(C(=O)c1cnccc1Cl)C(C)C
InChIInChI=1S/C12H17ClN2O2/c1-9(2)15(6-7-17-3)12(16)10-8-14-5-4-11(10)13/h4-5,8-9H,6-7H2,1-3H3
InChIKeyYVZQULCDYAOPEM-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225564
4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81226871
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 82942854
3-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-4-carboxamide
CID 81443763
2-methoxyethyl 4-chloropyridine-3-carboxylate
CID 115885964
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(methylamino)pyridine-4-carboxamide
CID 105069561
N-(2-methoxyethyl)-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 58924014
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
N-(1-cyclopropylethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 115645950

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide (CID 82948658) is 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide is COCCN(C(=O)c1cnccc1Cl)C(C)C.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is YVZQULCDYAOPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9(2)15(6-7-17-3)12(16)10-8-14-5-4-11(10)13/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide?
4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 82948658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).