2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide

C11H12Cl2N2O2 — CID 66004828

IUPAC2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c12-9-3-7(4-10(13)15-9)11(17)14-5-6-1-8(16)2-6/h3-4,6,8,16H,1-2,5H2,(H,14,17)
InChIKeyNFTFIZOHDKQJNL-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.89
Rot. Bonds3

About 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide

2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide (PubChem CID 66004828) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
PubChem CID66004828
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c12-9-3-7(4-10(13)15-9)11(17)14-5-6-1-8(16)2-6/h3-4,6,8,16H,1-2,5H2,(H,14,17)
InChIKeyNFTFIZOHDKQJNL-UHFFFAOYSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.89
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

3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107939665
2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106120872
2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
CID 106120801
5-chloro-2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005764
3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide
CID 66005162
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004553
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
2,6-dichloro-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80600468
2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107724816
2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66006489
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide (CID 66004828) is 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide is O=C(NCC1CC(O)C1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide?
The InChIKey is NFTFIZOHDKQJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-9-3-7(4-10(13)15-9)11(17)14-5-6-1-8(16)2-6/h3-4,6,8,16H,1-2,5H2,(H,14,17).
What are the key properties of 2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide has a molecular weight of 275.13 g/mol, XLogP of 1.89, 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-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66004828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).