(3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

C17H25N3O2 — CID 97366435

IUPAC(3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCC(C)N1CC[C@@H]2OC[C@H](C(=O)Nc3cccnc3)C[C@@H]2C1
InChIInChI=1S/C17H25N3O2/c1-12(2)20-7-5-16-13(10-20)8-14(11-22-16)17(21)19-15-4-3-6-18-9-15/h3-4,6,9,12-14,16H,5,7-8,10-11H2,1-2H3,(H,19,21)/t13-,14-,16+/m1/s1
InChIKeyCVSQBSYKTCZVFF-FMKPAKJESA-N
MW303.41 g/mol
LogP2.16
Rot. Bonds3

About (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

(3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (PubChem CID 97366435) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
PubChem CID97366435
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCC(C)N1CC[C@@H]2OC[C@H](C(=O)Nc3cccnc3)C[C@@H]2C1
InChIInChI=1S/C17H25N3O2/c1-12(2)20-7-5-16-13(10-20)8-14(11-22-16)17(21)19-15-4-3-6-18-9-15/h3-4,6,9,12-14,16H,5,7-8,10-11H2,1-2H3,(H,19,21)/t13-,14-,16+/m1/s1
InChIKeyCVSQBSYKTCZVFF-FMKPAKJESA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The IUPAC name of (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (CID 97366435) is (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is CC(C)N1CC[C@@H]2OC[C@H](C(=O)Nc3cccnc3)C[C@@H]2C1.
What is the InChIKey of (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The InChIKey is CVSQBSYKTCZVFF-FMKPAKJESA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)20-7-5-16-13(10-20)8-14(11-22-16)17(21)19-15-4-3-6-18-9-15/h3-4,6,9,12-14,16H,5,7-8,10-11H2,1-2H3,(H,19,21)/t13-,14-,16+/m1/s1.
What are the key properties of (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
(3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 97366435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).