N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide

C20H24N2O3 — CID 110003809

IUPACN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide
SMILESCN(CC1CCCCC1O)C(=O)c1ccccc1Oc1cccnc1
InChIInChI=1S/C20H24N2O3/c1-22(14-15-7-2-4-10-18(15)23)20(24)17-9-3-5-11-19(17)25-16-8-6-12-21-13-16/h3,5-6,8-9,11-13,15,18,23H,2,4,7,10,14H2,1H3
InChIKeyQOXNCVOHUNOCMZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.50
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide (PubChem CID 110003809) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide
PubChem CID110003809
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide
SMILESCN(CC1CCCCC1O)C(=O)c1ccccc1Oc1cccnc1
InChIInChI=1S/C20H24N2O3/c1-22(14-15-7-2-4-10-18(15)23)20(24)17-9-3-5-11-19(17)25-16-8-6-12-21-13-16/h3,5-6,8-9,11-13,15,18,23H,2,4,7,10,14H2,1H3
InChIKeyQOXNCVOHUNOCMZ-UHFFFAOYSA-N
XLogP3.50
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-phenoxypyridine-2-carboxamide
CID 109399798
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 110003438
2-(4-bromopyrazol-1-yl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylpyridine-3-carboxamide
CID 154841568
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
CID 110003642
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 109400475
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
CID 109399821
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110003773

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide (CID 110003809) is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide is CN(CC1CCCCC1O)C(=O)c1ccccc1Oc1cccnc1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide?
The InChIKey is QOXNCVOHUNOCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22(14-15-7-2-4-10-18(15)23)20(24)17-9-3-5-11-19(17)25-16-8-6-12-21-13-16/h3,5-6,8-9,11-13,15,18,23H,2,4,7,10,14H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide?
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-pyridin-3-yloxybenzamide is sourced from PubChem (CID 110003809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).