N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide

C20H23N3O3 — CID 91626313

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)C1OCCc2ccccc21
InChIInChI=1S/C20H23N3O3/c24-19(18-17-5-2-1-4-14(17)10-13-25-18)23-15-6-8-16(9-7-15)26-20-21-11-3-12-22-20/h1-5,11-12,15-16,18H,6-10,13H2,(H,23,24)
InChIKeyXFGHQLYEKIMIGT-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.60
Rot. Bonds4

About N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 91626313) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID91626313
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)C1OCCc2ccccc21
InChIInChI=1S/C20H23N3O3/c24-19(18-17-5-2-1-4-14(17)10-13-25-18)23-15-6-8-16(9-7-15)26-20-21-11-3-12-22-20/h1-5,11-12,15-16,18H,6-10,13H2,(H,23,24)
InChIKeyXFGHQLYEKIMIGT-UHFFFAOYSA-N
XLogP2.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858
3,4-dihydro-1H-isochromen-1-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257497
N-(2-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829352
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3,4-dihydro-1H-isochromene-3-carboxamide
CID 90634419
(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
CID 100749039
N-[(1R,2R)-2-aminocyclohexyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829364
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 122259530
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 91626313) is N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(NC1CCC(Oc2ncccn2)CC1)C1OCCc2ccccc21.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is XFGHQLYEKIMIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(18-17-5-2-1-4-14(17)10-13-25-18)23-15-6-8-16(9-7-15)26-20-21-11-3-12-22-20/h1-5,11-12,15-16,18H,6-10,13H2,(H,23,24).
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 91626313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).