5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide

C12H14Cl2N2O2 — CID 103774208

IUPAC5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c13-9-4-8(5-15-11(9)14)12(18)16-10-3-1-2-7(10)6-17/h4-5,7,10,17H,1-3,6H2,(H,16,18)
InChIKeyAFBBQIBLRAZFAU-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.28
Rot. Bonds3

About 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide

5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 103774208) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID103774208
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c13-9-4-8(5-15-11(9)14)12(18)16-10-3-1-2-7(10)6-17/h4-5,7,10,17H,1-3,6H2,(H,16,18)
InChIKeyAFBBQIBLRAZFAU-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774144
5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 78926017
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
CID 113259274
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide (CID 103774208) is 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide is O=C(NC1CCCC1CO)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is AFBBQIBLRAZFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-9-4-8(5-15-11(9)14)12(18)16-10-3-1-2-7(10)6-17/h4-5,7,10,17H,1-3,6H2,(H,16,18).
What are the key properties of 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide?
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 103774208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).