(2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C23H27N3O2 — CID 123899991

IUPAC(2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1nn(CC2CCOCC2)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C23H27N3O2/c27-22(24-23(8-9-23)17-4-2-1-3-5-17)20-19-13-16-12-18(16)21(19)26(25-20)14-15-6-10-28-11-7-15/h1-5,15-16,18H,6-14H2,(H,24,27)/t16-,18-/m1/s1
InChIKeyCKZIRFFCGYKDJX-SJLPKXTDSA-N
MW377.49 g/mol
LogP3.39
Rot. Bonds5

About (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 123899991) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID123899991
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)c1nn(CC2CCOCC2)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C23H27N3O2/c27-22(24-23(8-9-23)17-4-2-1-3-5-17)20-19-13-16-12-18(16)21(19)26(25-20)14-15-6-10-28-11-7-15/h1-5,15-16,18H,6-14H2,(H,24,27)/t16-,18-/m1/s1
InChIKeyCKZIRFFCGYKDJX-SJLPKXTDSA-N
XLogP3.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-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)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 123899991) is (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is O=C(NC1(c2ccccc2)CC1)c1nn(CC2CCOCC2)c2c1C[C@H]1C[C@@H]21.
What is the InChIKey of (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is CKZIRFFCGYKDJX-SJLPKXTDSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(24-23(8-9-23)17-4-2-1-3-5-17)20-19-13-16-12-18(16)21(19)26(25-20)14-15-6-10-28-11-7-15/h1-5,15-16,18H,6-14H2,(H,24,27)/t16-,18-/m1/s1.
What are the key properties of (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(oxan-4-ylmethyl)-N-(1-phenylcyclopropyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 123899991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).