3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide

C13H17ClN2O2 — CID 164634939

IUPAC3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide
SMILESCC1(C)CC[C@H](CNC(=O)c2ncccc2Cl)O1
InChIInChI=1S/C13H17ClN2O2/c1-13(2)6-5-9(18-13)8-16-12(17)11-10(14)4-3-7-15-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyPDGBXNLLOBFFJY-SECBINFHSA-N
MW268.74 g/mol
LogP2.42
Rot. Bonds3

About 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide

3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 164634939) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide
PubChem CID164634939
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide
SMILESCC1(C)CC[C@H](CNC(=O)c2ncccc2Cl)O1
InChIInChI=1S/C13H17ClN2O2/c1-13(2)6-5-9(18-13)8-16-12(17)11-10(14)4-3-7-15-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyPDGBXNLLOBFFJY-SECBINFHSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lazabemide
CID 71307
N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 2964204
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-2-carboxamide
CID 3239666
5-Chloro-N-(2-hydroxyethyl)-2-pyridinecarboxamide
CID 64398418
N-{1-[(cyclohexylamino)carbonyl]cyclohexyl}-N-(tetrahydrofuran-2-ylmethyl)pyridine-2-carboxamide
CID 3244146
N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-2-carboximidic acid
CID 3060083
6-Chloro-N-((tetrahydrofuran-2-yl)methyl)nicotinamide
CID 4176091
3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide
CID 42940169
ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959637
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879931
(5-Chloro-2-pyridinyl)-[3-(3-methoxypropoxy)azetidin-1-yl]methanone
CID 71863737
4-chloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79248971

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide (CID 164634939) is 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide is CC1(C)CC[C@H](CNC(=O)c2ncccc2Cl)O1.
What is the InChIKey of 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is PDGBXNLLOBFFJY-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2)6-5-9(18-13)8-16-12(17)11-10(14)4-3-7-15-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide?
3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 164634939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).