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

C19H23N5O2 — CID 97388720

IUPAC(4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21
InChIInChI=1S/C19H23N5O2/c1-13-16(3-2-7-21-13)23-19(25)14-6-10-26-17-5-9-24(11-15(14)17)18-4-8-20-12-22-18/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3,(H,23,25)/t14-,15+,17-/m1/s1
InChIKeyZVTGRFUFINENRK-HLLBOEOZSA-N
MW353.43 g/mol
LogP2.05
Rot. Bonds3

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

(4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 97388720) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID97388720
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21
InChIInChI=1S/C19H23N5O2/c1-13-16(3-2-7-21-13)23-19(25)14-6-10-26-17-5-9-24(11-15(14)17)18-4-8-20-12-22-18/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3,(H,23,25)/t14-,15+,17-/m1/s1
InChIKeyZVTGRFUFINENRK-HLLBOEOZSA-N
XLogP2.05
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 97388720) is (4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-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-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21.
What is the InChIKey of (4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is ZVTGRFUFINENRK-HLLBOEOZSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-16(3-2-7-21-13)23-19(25)14-6-10-26-17-5-9-24(11-15(14)17)18-4-8-20-12-22-18/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3,(H,23,25)/t14-,15+,17-/m1/s1.
What are the key properties of (4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 97388720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).