3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide

C17H19Cl2N3O — CID 113030403

IUPAC3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C17H19Cl2N3O/c1-2-3-4-9-20-13-6-8-16(21-11-13)22-17(23)12-5-7-14(18)15(19)10-12/h5-8,10-11,20H,2-4,9H2,1H3,(H,21,22,23)
InChIKeyAFQNMWIXXPOFSY-UHFFFAOYSA-N
MW352.27 g/mol
LogP5.24
Rot. Bonds7

About 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide

3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide (PubChem CID 113030403) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
PubChem CID113030403
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C17H19Cl2N3O/c1-2-3-4-9-20-13-6-8-16(21-11-13)22-17(23)12-5-7-14(18)15(19)10-12/h5-8,10-11,20H,2-4,9H2,1H3,(H,21,22,23)
InChIKeyAFQNMWIXXPOFSY-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.27
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
CID 39178282
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109151662
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide (CID 113030403) is 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide is CCCCCNc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide?
The InChIKey is AFQNMWIXXPOFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-2-3-4-9-20-13-6-8-16(21-11-13)22-17(23)12-5-7-14(18)15(19)10-12/h5-8,10-11,20H,2-4,9H2,1H3,(H,21,22,23).
What are the key properties of 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide?
3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide has a molecular weight of 352.27 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113030403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).