5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide

C15H15Cl2N3O — CID 109222941

IUPAC5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-2-5-19-15(21)10-6-12(9-18-8-10)20-14-4-3-11(16)7-13(14)17/h3-4,6-9,20H,2,5H2,1H3,(H,19,21)
InChIKeyYSHKRLOBZYNSSM-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.27
Rot. Bonds5

About 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide

5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide (PubChem CID 109222941) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
PubChem CID109222941
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-2-5-19-15(21)10-6-12(9-18-8-10)20-14-4-3-11(16)7-13(14)17/h3-4,6-9,20H,2,5H2,1H3,(H,19,21)
InChIKeyYSHKRLOBZYNSSM-UHFFFAOYSA-N
XLogP4.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227744
5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109244281
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162
6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
CID 109109379
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide (CID 109222941) is 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide?
The InChIKey is YSHKRLOBZYNSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-2-5-19-15(21)10-6-12(9-18-8-10)20-14-4-3-11(16)7-13(14)17/h3-4,6-9,20H,2,5H2,1H3,(H,19,21).
What are the key properties of 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide?
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).