(2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C17H20N4O2 — CID 118720581

IUPAC(2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1nn(-c2ccccn2)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C17H20N4O2/c1-17(2,9-22)19-16(23)14-12-8-10-7-11(10)15(12)21(20-14)13-5-3-4-6-18-13/h3-6,10-11,22H,7-9H2,1-2H3,(H,19,23)/t10-,11-/m1/s1
InChIKeyPUDMSDVHALBQJY-GHMZBOCLSA-N
MW312.37 g/mol
LogP1.43
Rot. Bonds4

About (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 118720581) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID118720581
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1nn(-c2ccccn2)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C17H20N4O2/c1-17(2,9-22)19-16(23)14-12-8-10-7-11(10)15(12)21(20-14)13-5-3-4-6-18-13/h3-6,10-11,22H,7-9H2,1-2H3,(H,19,23)/t10-,11-/m1/s1
InChIKeyPUDMSDVHALBQJY-GHMZBOCLSA-N
XLogP1.43
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 118720581) is (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is CC(C)(CO)NC(=O)c1nn(-c2ccccn2)c2c1C[C@H]1C[C@@H]21.
What is the InChIKey of (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is PUDMSDVHALBQJY-GHMZBOCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2,9-22)19-16(23)14-12-8-10-7-11(10)15(12)21(20-14)13-5-3-4-6-18-13/h3-6,10-11,22H,7-9H2,1-2H3,(H,19,23)/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 118720581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).