6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide

C13H15N3O3 — CID 91831669

IUPAC6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H15N3O3/c1-18-12-4-5-19-8-11(12)16-13(17)9-2-3-10(6-14)15-7-9/h2-3,7,11-12H,4-5,8H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyRGRJKLOLVLKERD-VXGBXAGGSA-N
MW261.28 g/mol
LogP0.49
Rot. Bonds3

About 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide

6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide (PubChem CID 91831669) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
PubChem CID91831669
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H15N3O3/c1-18-12-4-5-19-8-11(12)16-13(17)9-2-3-10(6-14)15-7-9/h2-3,7,11-12H,4-5,8H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyRGRJKLOLVLKERD-VXGBXAGGSA-N
XLogP0.49
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 172668266
6-cyano-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 91843333
6-cyano-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 135117318
6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91769238
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
CID 156609459
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide
CID 163319270
N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 156608505
6-cyano-N-[(1R,2R,5S)-5-(cyclobutylcarbamoyl)-2-propoxycyclohexyl]pyridine-3-carboxamide
CID 156584810

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide (CID 91831669) is 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide?
The InChIKey is RGRJKLOLVLKERD-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-12-4-5-19-8-11(12)16-13(17)9-2-3-10(6-14)15-7-9/h2-3,7,11-12H,4-5,8H2,1H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide?
6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91831669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).