(4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

C15H24N4O2 — CID 97380966

IUPAC(4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]21
InChIInChI=1S/C15H24N4O2/c1-16-15(20)12-4-6-21-14-3-5-19(10-13(12)14)9-11-7-17-18(2)8-11/h7-8,12-14H,3-6,9-10H2,1-2H3,(H,16,20)/t12-,13+,14-/m1/s1
InChIKeyWMWOHYDQGBXMBI-HZSPNIEDSA-N
MW292.38 g/mol
LogP0.39
Rot. Bonds3

About (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

(4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 97380966) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID97380966
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]21
InChIInChI=1S/C15H24N4O2/c1-16-15(20)12-4-6-21-14-3-5-19(10-13(12)14)9-11-7-17-18(2)8-11/h7-8,12-14H,3-6,9-10H2,1-2H3,(H,16,20)/t12-,13+,14-/m1/s1
InChIKeyWMWOHYDQGBXMBI-HZSPNIEDSA-N
XLogP0.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 97380966) is (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]21.
What is the InChIKey of (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is WMWOHYDQGBXMBI-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-16-15(20)12-4-6-21-14-3-5-19(10-13(12)14)9-11-7-17-18(2)8-11/h7-8,12-14H,3-6,9-10H2,1-2H3,(H,16,20)/t12-,13+,14-/m1/s1.
What are the key properties of (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-N-methyl-6-[(1-methylpyrazol-4-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 97380966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).