5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide

C18H22ClN3O — CID 109240944

IUPAC5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cncc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClN3O/c1-3-9-22(10-4-2)18(23)14-11-17(13-20-12-14)21-16-7-5-15(19)6-8-16/h5-8,11-13,21H,3-4,9-10H2,1-2H3
InChIKeyJZGBZNBOYBCWFL-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.74
Rot. Bonds7

About 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide

5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide (PubChem CID 109240944) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
PubChem CID109240944
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cncc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClN3O/c1-3-9-22(10-4-2)18(23)14-11-17(13-20-12-14)21-16-7-5-15(19)6-8-16/h5-8,11-13,21H,3-4,9-10H2,1-2H3
InChIKeyJZGBZNBOYBCWFL-UHFFFAOYSA-N
XLogP4.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240921
5-(3,5-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241004
5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241006
methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240973
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
CID 109224616
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106769
N,N-dipropyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109240993
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109234047
N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
CID 109238844

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide (CID 109240944) is 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide is CCCN(CCC)C(=O)c1cncc(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide?
The InChIKey is JZGBZNBOYBCWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-9-22(10-4-2)18(23)14-11-17(13-20-12-14)21-16-7-5-15(19)6-8-16/h5-8,11-13,21H,3-4,9-10H2,1-2H3.
What are the key properties of 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide?
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide is sourced from PubChem (CID 109240944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).