6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide

C11H13ClN2O3 — CID 54908916

IUPAC6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1COCCO1)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O3/c12-10-2-1-8(5-13-10)11(15)14-6-9-7-16-3-4-17-9/h1-2,5,9H,3-4,6-7H2,(H,14,15)
InChIKeyBIYSOEXZVDLCAX-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.88
Rot. Bonds3

About 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide

6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 54908916) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID54908916
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1COCCO1)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O3/c12-10-2-1-8(5-13-10)11(15)14-6-9-7-16-3-4-17-9/h1-2,5,9H,3-4,6-7H2,(H,14,15)
InChIKeyBIYSOEXZVDLCAX-UHFFFAOYSA-N
XLogP0.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181314
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262
4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
CID 119295756
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614671
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
3-[6-(1,4-dioxan-2-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76978753
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2H-triazole-4-carboxamide
CID 97054054
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide (CID 54908916) is 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1COCCO1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BIYSOEXZVDLCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-10-2-1-8(5-13-10)11(15)14-6-9-7-16-3-4-17-9/h1-2,5,9H,3-4,6-7H2,(H,14,15).
What are the key properties of 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide?
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 54908916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).