6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide

C16H18ClN3O — CID 23725212

IUPAC6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H18ClN3O/c1-3-20(4-2)16(21)12-5-10-15(18-11-12)19-14-8-6-13(17)7-9-14/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyUEKPAIMMZMCKSL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.96
Rot. Bonds5

About 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide

6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide (PubChem CID 23725212) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide
PubChem CID23725212
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H18ClN3O/c1-3-20(4-2)16(21)12-5-10-15(18-11-12)19-14-8-6-13(17)7-9-14/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyUEKPAIMMZMCKSL-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide (CID 23725212) is 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide?
The InChIKey is UEKPAIMMZMCKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-20(4-2)16(21)12-5-10-15(18-11-12)19-14-8-6-13(17)7-9-14/h5-11H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide?
6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 23725212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).