2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide

C12H15ClN2O3 — CID 104630360

IUPAC2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O3/c13-10-9(2-1-5-14-10)11(17)15-12(8-16)3-6-18-7-4-12/h1-2,5,16H,3-4,6-8H2,(H,15,17)
InChIKeyVSKZOTUIBOMVHM-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.01
Rot. Bonds3

About 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide

2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide (PubChem CID 104630360) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
PubChem CID104630360
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O3/c13-10-9(2-1-5-14-10)11(17)15-12(8-16)3-6-18-7-4-12/h1-2,5,16H,3-4,6-8H2,(H,15,17)
InChIKeyVSKZOTUIBOMVHM-UHFFFAOYSA-N
XLogP1.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 103742502
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550
N-[4-(chloromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 106300490
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
3-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106548206
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide
CID 114170033
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 106994379
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
CID 106296960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide (CID 104630360) is 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide is O=C(NC1(CO)CCOCC1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide?
The InChIKey is VSKZOTUIBOMVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-10-9(2-1-5-14-10)11(17)15-12(8-16)3-6-18-7-4-12/h1-2,5,16H,3-4,6-8H2,(H,15,17).
What are the key properties of 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide?
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 104630360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).