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

C18H21N5O2 — CID 97364673

IUPAC(3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESO=C(NCc1ccccn1)[C@H]1COC[C@H]2CN(c3ncccn3)C[C@H]21
InChIInChI=1S/C18H21N5O2/c24-17(22-8-14-4-1-2-5-19-14)16-12-25-11-13-9-23(10-15(13)16)18-20-6-3-7-21-18/h1-7,13,15-16H,8-12H2,(H,22,24)/t13-,15-,16+/m1/s1
InChIKeyNOPXZTJADXCHHE-BMFZPTHFSA-N
MW339.40 g/mol
LogP0.89
Rot. Bonds4

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

(3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (PubChem CID 97364673) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide.

Molecular Properties

Compound Name(3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
PubChem CID97364673
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide
SMILESO=C(NCc1ccccn1)[C@H]1COC[C@H]2CN(c3ncccn3)C[C@H]21
InChIInChI=1S/C18H21N5O2/c24-17(22-8-14-4-1-2-5-19-14)16-12-25-11-13-9-23(10-15(13)16)18-20-6-3-7-21-18/h1-7,13,15-16H,8-12H2,(H,22,24)/t13-,15-,16+/m1/s1
InChIKeyNOPXZTJADXCHHE-BMFZPTHFSA-N
XLogP0.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-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 (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The IUPAC name of (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide (CID 97364673) is (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-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)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The canonical SMILES for (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is O=C(NCc1ccccn1)[C@H]1COC[C@H]2CN(c3ncccn3)C[C@H]21.
What is the InChIKey of (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
The InChIKey is NOPXZTJADXCHHE-BMFZPTHFSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(22-8-14-4-1-2-5-19-14)16-12-25-11-13-9-23(10-15(13)16)18-20-6-3-7-21-18/h1-7,13,15-16H,8-12H2,(H,22,24)/t13-,15-,16+/m1/s1.
What are the key properties of (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide?
(3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,7aR)-N-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-7-carboxamide is sourced from PubChem (CID 97364673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).