5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide

C18H22ClN3O2 — CID 59730082

IUPAC5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide
SMILESCCCCCNCc1ccc(Oc2ccc(C(N)=O)nc2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O2/c1-2-3-4-9-21-11-13-5-8-17(15(19)10-13)24-14-6-7-16(18(20)23)22-12-14/h5-8,10,12,21H,2-4,9,11H2,1H3,(H2,20,23)
InChIKeyYEKAXYJRFMIMLJ-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.91
Rot. Bonds9

About 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide

5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide (PubChem CID 59730082) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide
PubChem CID59730082
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide
SMILESCCCCCNCc1ccc(Oc2ccc(C(N)=O)nc2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O2/c1-2-3-4-9-21-11-13-5-8-17(15(19)10-13)24-14-6-7-16(18(20)23)22-12-14/h5-8,10,12,21H,2-4,9,11H2,1H3,(H2,20,23)
InChIKeyYEKAXYJRFMIMLJ-UHFFFAOYSA-N
XLogP3.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide (CID 59730082) is 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide is CCCCCNCc1ccc(Oc2ccc(C(N)=O)nc2)c(Cl)c1.
What is the InChIKey of 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is YEKAXYJRFMIMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-2-3-4-9-21-11-13-5-8-17(15(19)10-13)24-14-6-7-16(18(20)23)22-12-14/h5-8,10,12,21H,2-4,9,11H2,1H3,(H2,20,23).
What are the key properties of 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide?
5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-[(pentylamino)methyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 59730082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).