2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide

C17H20ClN3O — CID 113015233

IUPAC2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C17H20ClN3O/c1-2-3-6-11-19-16-10-9-13(12-20-16)21-17(22)14-7-4-5-8-15(14)18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyAQAUOCILKHSEQJ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.59
Rot. Bonds7

About 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide

2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide (PubChem CID 113015233) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
PubChem CID113015233
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C17H20ClN3O/c1-2-3-6-11-19-16-10-9-13(12-20-16)21-17(22)14-7-4-5-8-15(14)18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyAQAUOCILKHSEQJ-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.59
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

2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide
CID 28901836
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
CID 113030002
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoic acid
CID 39178036
3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030403
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide (CID 113015233) is 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide is CCCCCNc1ccc(NC(=O)c2ccccc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide?
The InChIKey is AQAUOCILKHSEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-3-6-11-19-16-10-9-13(12-20-16)21-17(22)14-7-4-5-8-15(14)18/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide?
2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113015233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).