4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide

C17H20ClN3O — CID 113030423

IUPAC4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H20ClN3O/c1-2-3-4-11-19-15-9-10-16(20-12-15)21-17(22)13-5-7-14(18)8-6-13/h5-10,12,19H,2-4,11H2,1H3,(H,20,21,22)
InChIKeyPTUBCYDNMUIVEN-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.59
Rot. Bonds7

About 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide

4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide (PubChem CID 113030423) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
PubChem CID113030423
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H20ClN3O/c1-2-3-4-11-19-15-9-10-16(20-12-15)21-17(22)13-5-7-14(18)8-6-13/h5-10,12,19H,2-4,11H2,1H3,(H,20,21,22)
InChIKeyPTUBCYDNMUIVEN-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

3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030403
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
CID 39178282
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide (CID 113030423) is 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide is CCCCCNc1ccc(NC(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide?
The InChIKey is PTUBCYDNMUIVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-3-4-11-19-15-9-10-16(20-12-15)21-17(22)13-5-7-14(18)8-6-13/h5-10,12,19H,2-4,11H2,1H3,(H,20,21,22).
What are the key properties of 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide?
4-chloro-N-[5-(pentylamino)-2-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 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113030423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).