N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide

C17H19ClFN3O — CID 109195858

IUPACN-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C17H19ClFN3O/c1-2-3-4-9-20-13-6-8-16(21-11-13)17(23)22-12-5-7-15(19)14(18)10-12/h5-8,10-11,20H,2-4,9H2,1H3,(H,22,23)
InChIKeyCVRGWZREZAXFOW-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.73
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide (PubChem CID 109195858) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
PubChem CID109195858
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C17H19ClFN3O/c1-2-3-4-9-20-13-6-8-16(21-11-13)17(23)22-12-5-7-15(19)14(18)10-12/h5-8,10-11,20H,2-4,9H2,1H3,(H,22,23)
InChIKeyCVRGWZREZAXFOW-UHFFFAOYSA-N
XLogP4.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.73
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

N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
CID 109196641
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
2-(butylamino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109320536

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide (CID 109195858) is N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide?
The InChIKey is CVRGWZREZAXFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O/c1-2-3-4-9-20-13-6-8-16(21-11-13)17(23)22-12-5-7-15(19)14(18)10-12/h5-8,10-11,20H,2-4,9H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide has a molecular weight of 335.81 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).