(4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C19H23N3O2 — CID 97365679

IUPAC(4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCc1cccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)n1
InChIInChI=1S/C19H23N3O2/c1-14-5-4-6-15(21-14)13-22-11-12-23-19-16(22)8-9-17(19)24-18-7-2-3-10-20-18/h2-7,10,16-17,19H,8-9,11-13H2,1H3/t16-,17+,19+/m0/s1
InChIKeyIPNPAQSWEASNSP-YQVWRLOYSA-N
MW325.41 g/mol
LogP2.60
Rot. Bonds4

About (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

(4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 97365679) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID97365679
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCc1cccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)n1
InChIInChI=1S/C19H23N3O2/c1-14-5-4-6-15(21-14)13-22-11-12-23-19-16(22)8-9-17(19)24-18-7-2-3-10-20-18/h2-7,10,16-17,19H,8-9,11-13H2,1H3/t16-,17+,19+/m0/s1
InChIKeyIPNPAQSWEASNSP-YQVWRLOYSA-N
XLogP2.60
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 97365679) is (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is Cc1cccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)n1.
What is the InChIKey of (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is IPNPAQSWEASNSP-YQVWRLOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-4-6-15(21-14)13-22-11-12-23-19-16(22)8-9-17(19)24-18-7-2-3-10-20-18/h2-7,10,16-17,19H,8-9,11-13H2,1H3/t16-,17+,19+/m0/s1.
What are the key properties of (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
(4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 325.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 97365679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).