N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide

C21H21N3O2 — CID 90633284

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O2/c25-20(17-7-6-15-4-1-2-5-16(15)14-17)24-18-8-10-19(11-9-18)26-21-22-12-3-13-23-21/h1-7,12-14,18-19H,8-11H2,(H,24,25)
InChIKeyGSSDJGAPMDXJOR-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.75
Rot. Bonds4

About N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide

N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide (PubChem CID 90633284) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
PubChem CID90633284
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O2/c25-20(17-7-6-15-4-1-2-5-16(15)14-17)24-18-8-10-19(11-9-18)26-21-22-12-3-13-23-21/h1-7,12-14,18-19H,8-11H2,(H,24,25)
InChIKeyGSSDJGAPMDXJOR-UHFFFAOYSA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
4-nitro-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633273
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334
N-(4-pyrimidin-2-yloxycyclohexyl)-2-(trifluoromethyl)benzamide
CID 90633279
4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633315
1-naphthalen-1-yl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633505
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide
CID 176505850

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide (CID 90633284) is N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide is O=C(NC1CCC(Oc2ncccn2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide?
The InChIKey is GSSDJGAPMDXJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(17-7-6-15-4-1-2-5-16(15)14-17)24-18-8-10-19(11-9-18)26-21-22-12-3-13-23-21/h1-7,12-14,18-19H,8-11H2,(H,24,25).
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide?
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide is sourced from PubChem (CID 90633284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).