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

C16H24N4O2 — CID 97367016

IUPAC(4R,4aR,8aR)-N-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21
InChIInChI=1S/C16H24N4O2/c1-11(2)19-16(21)12-5-8-22-14-4-7-20(9-13(12)14)15-3-6-17-10-18-15/h3,6,10-14H,4-5,7-9H2,1-2H3,(H,19,21)/t12-,13+,14-/m1/s1
InChIKeyCODIVUAGNYRSDH-HZSPNIEDSA-N
MW304.39 g/mol
LogP1.23
Rot. Bonds3

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

(4R,4aR,8aR)-N-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 97367016) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (4R,4aR,8aR)-N-propan-2-yl-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-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID97367016
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(4R,4aR,8aR)-N-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21
InChIInChI=1S/C16H24N4O2/c1-11(2)19-16(21)12-5-8-22-14-4-7-20(9-13(12)14)15-3-6-17-10-18-15/h3,6,10-14H,4-5,7-9H2,1-2H3,(H,19,21)/t12-,13+,14-/m1/s1
InChIKeyCODIVUAGNYRSDH-HZSPNIEDSA-N
XLogP1.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,4aR,8aR)-N-propan-2-yl-6-pyrimidin-4-yl-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-propan-2-yl-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-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 97367016) is (4R,4aR,8aR)-N-propan-2-yl-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-propan-2-yl-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-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21.
What is the InChIKey of (4R,4aR,8aR)-N-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is CODIVUAGNYRSDH-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)19-16(21)12-5-8-22-14-4-7-20(9-13(12)14)15-3-6-17-10-18-15/h3,6,10-14H,4-5,7-9H2,1-2H3,(H,19,21)/t12-,13+,14-/m1/s1.
What are the key properties of (4R,4aR,8aR)-N-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aR,8aR)-N-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.23, 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-propan-2-yl-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 97367016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).