N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide

C18H26N2O2 — CID 110084497

IUPACN-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1(Cc2ccccn2)CCOCC1
InChIInChI=1S/C18H26N2O2/c21-17(20-15-6-2-1-3-7-15)18(9-12-22-13-10-18)14-16-8-4-5-11-19-16/h4-5,8,11,15H,1-3,6-7,9-10,12-14H2,(H,20,21)
InChIKeyVPBYDYIUZKCAAS-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.87
Rot. Bonds4

About N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide

N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide (PubChem CID 110084497) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
PubChem CID110084497
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1(Cc2ccccn2)CCOCC1
InChIInChI=1S/C18H26N2O2/c21-17(20-15-6-2-1-3-7-15)18(9-12-22-13-10-18)14-16-8-4-5-11-19-16/h4-5,8,11,15H,1-3,6-7,9-10,12-14H2,(H,20,21)
InChIKeyVPBYDYIUZKCAAS-UHFFFAOYSA-N
XLogP2.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082796
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
CID 110084501
4-benzyl-N-(1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 110090611
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876
methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate
CID 116930271
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(3S)-oxan-3-yl]oxane-4-carboxamide
CID 129458009
N-cyclopentyl-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129458761

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide (CID 110084497) is N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide is O=C(NC1CCCCC1)C1(Cc2ccccn2)CCOCC1.
What is the InChIKey of N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is VPBYDYIUZKCAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17(20-15-6-2-1-3-7-15)18(9-12-22-13-10-18)14-16-8-4-5-11-19-16/h4-5,8,11,15H,1-3,6-7,9-10,12-14H2,(H,20,21).
What are the key properties of N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide?
N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(pyridin-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 110084497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).