5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide

C17H17Cl2N3O — CID 109226240

IUPAC5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NC2CCCC2)c1
InChIInChI=1S/C17H17Cl2N3O/c18-12-6-13(19)8-15(7-12)22-17(23)11-5-16(10-20-9-11)21-14-3-1-2-4-14/h5-10,14,21H,1-4H2,(H,22,23)
InChIKeyQCDMPHHVEIVFCS-UHFFFAOYSA-N
MW350.25 g/mol
LogP5.00
Rot. Bonds4

About 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide

5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 109226240) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
PubChem CID109226240
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NC2CCCC2)c1
InChIInChI=1S/C17H17Cl2N3O/c18-12-6-13(19)8-15(7-12)22-17(23)11-5-16(10-20-9-11)21-14-3-1-2-4-14/h5-10,14,21H,1-4H2,(H,22,23)
InChIKeyQCDMPHHVEIVFCS-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide (CID 109226240) is 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NC2CCCC2)c1.
What is the InChIKey of 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is QCDMPHHVEIVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-12-6-13(19)8-15(7-12)22-17(23)11-5-16(10-20-9-11)21-14-3-1-2-4-14/h5-10,14,21H,1-4H2,(H,22,23).
What are the key properties of 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide?
5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109226240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).