3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide

C12H15ClN2O3 — CID 91781029

IUPAC3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-17-11-7-18-5-3-10(11)15-12(16)8-2-4-14-6-9(8)13/h2,4,6,10-11H,3,5,7H2,1H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyLXROGNZFMRHAAH-GHMZBOCLSA-N
MW270.72 g/mol
LogP1.27
Rot. Bonds3

About 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide

3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide (PubChem CID 91781029) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
PubChem CID91781029
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-17-11-7-18-5-3-10(11)15-12(16)8-2-4-14-6-9(8)13/h2,4,6,10-11H,3,5,7H2,1H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyLXROGNZFMRHAAH-GHMZBOCLSA-N
XLogP1.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
CID 91789115
3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
CID 97256978
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide (CID 91781029) is 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide is CO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide?
The InChIKey is LXROGNZFMRHAAH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-17-11-7-18-5-3-10(11)15-12(16)8-2-4-14-6-9(8)13/h2,4,6,10-11H,3,5,7H2,1H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide?
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91781029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).