4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C25H32N4O3 — CID 58600855

IUPAC4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccc(N2CCOc3c(C(=O)NC4CCC(N5CCOCC5)CC4)cccc32)nc1
InChIInChI=1S/C25H32N4O3/c1-18-5-10-23(26-17-18)29-13-16-32-24-21(3-2-4-22(24)29)25(30)27-19-6-8-20(9-7-19)28-11-14-31-15-12-28/h2-5,10,17,19-20H,6-9,11-16H2,1H3,(H,27,30)
InChIKeySZLNIPRIVNZIQY-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.29
Rot. Bonds4

About 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 58600855) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID58600855
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESCc1ccc(N2CCOc3c(C(=O)NC4CCC(N5CCOCC5)CC4)cccc32)nc1
InChIInChI=1S/C25H32N4O3/c1-18-5-10-23(26-17-18)29-13-16-32-24-21(3-2-4-22(24)29)25(30)27-19-6-8-20(9-7-19)28-11-14-31-15-12-28/h2-5,10,17,19-20H,6-9,11-16H2,1H3,(H,27,30)
InChIKeySZLNIPRIVNZIQY-UHFFFAOYSA-N
XLogP3.29
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 58600855) is 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is Cc1ccc(N2CCOc3c(C(=O)NC4CCC(N5CCOCC5)CC4)cccc32)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is SZLNIPRIVNZIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18-5-10-23(26-17-18)29-13-16-32-24-21(3-2-4-22(24)29)25(30)27-19-6-8-20(9-7-19)28-11-14-31-15-12-28/h2-5,10,17,19-20H,6-9,11-16H2,1H3,(H,27,30).
What are the key properties of 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 58600855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).