2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide

C13H16Cl2N2O2 — CID 106993969

IUPAC2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-11-6-5-9(12(15)17-11)13(19)16-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,16,19)
InChIKeyNKTCKGNBSYXWGH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.67
Rot. Bonds3

About 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide

2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 106993969) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID106993969
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-11-6-5-9(12(15)17-11)13(19)16-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,16,19)
InChIKeyNKTCKGNBSYXWGH-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide (CID 106993969) is 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide is O=C(NCC1CCCCC1O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is NKTCKGNBSYXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-6-5-9(12(15)17-11)13(19)16-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,16,19).
What are the key properties of 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 106993969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).