(3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide

C16H24N4O3 — CID 97364615

IUPAC(3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESCOc1cc(N2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)ncn1
InChIInChI=1S/C16H24N4O3/c1-10(2)19-16(21)13-8-23-7-11-5-20(6-12(11)13)14-4-15(22-3)18-9-17-14/h4,9-13H,5-8H2,1-3H3,(H,19,21)/t11-,12-,13+/m1/s1
InChIKeySRQSKZWBPMXQIG-UPJWGTAASA-N
MW320.39 g/mol
LogP0.71
Rot. Bonds4

About (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide

(3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (PubChem CID 97364615) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.

Molecular Properties

Compound Name(3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
PubChem CID97364615
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESCOc1cc(N2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)ncn1
InChIInChI=1S/C16H24N4O3/c1-10(2)19-16(21)13-8-23-7-11-5-20(6-12(11)13)14-4-15(22-3)18-9-17-14/h4,9-13H,5-8H2,1-3H3,(H,19,21)/t11-,12-,13+/m1/s1
InChIKeySRQSKZWBPMXQIG-UPJWGTAASA-N
XLogP0.71
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The IUPAC name of (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (CID 97364615) is (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.
What is the SMILES notation for (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The canonical SMILES for (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is COc1cc(N2C[C@@H]3COC[C@H](C(=O)NC(C)C)[C@@H]3C2)ncn1.
What is the InChIKey of (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The InChIKey is SRQSKZWBPMXQIG-UPJWGTAASA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)19-16(21)13-8-23-7-11-5-20(6-12(11)13)14-4-15(22-3)18-9-17-14/h4,9-13H,5-8H2,1-3H3,(H,19,21)/t11-,12-,13+/m1/s1.
What are the key properties of (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
(3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is sourced from PubChem (CID 97364615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).