2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide

C14H19ClFN3O — CID 103940090

IUPAC2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)C1(CNC(=O)c2cc(F)cnc2Cl)CCCC1
InChIInChI=1S/C14H19ClFN3O/c1-19(2)14(5-3-4-6-14)9-18-13(20)11-7-10(16)8-17-12(11)15/h7-8H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyKZAMOECIARAHQU-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide

2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide (PubChem CID 103940090) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide
PubChem CID103940090
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)C1(CNC(=O)c2cc(F)cnc2Cl)CCCC1
InChIInChI=1S/C14H19ClFN3O/c1-19(2)14(5-3-4-6-14)9-18-13(20)11-7-10(16)8-17-12(11)15/h7-8H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyKZAMOECIARAHQU-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924344
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-fluorobenzamide
CID 16625894
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluoropyridine-3-carboxamide
CID 103940270
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
2-chloro-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 114034209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide (CID 103940090) is 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide is CN(C)C1(CNC(=O)c2cc(F)cnc2Cl)CCCC1.
What is the InChIKey of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is KZAMOECIARAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c1-19(2)14(5-3-4-6-14)9-18-13(20)11-7-10(16)8-17-12(11)15/h7-8H,3-6,9H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide?
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 299.78 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103940090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).