N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide

C23H29N3O3 — CID 60612889

IUPACN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccnc(OC2CCCCC2)c1)c1ccccc1N1CCOCC1
InChIInChI=1S/C23H29N3O3/c27-23(20-8-4-5-9-21(20)26-12-14-28-15-13-26)25-17-18-10-11-24-22(16-18)29-19-6-2-1-3-7-19/h4-5,8-11,16,19H,1-3,6-7,12-15,17H2,(H,25,27)
InChIKeyPBSIVLSTQCYNLH-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.56
Rot. Bonds6

About N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 60612889) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID60612889
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1ccnc(OC2CCCCC2)c1)c1ccccc1N1CCOCC1
InChIInChI=1S/C23H29N3O3/c27-23(20-8-4-5-9-21(20)26-12-14-28-15-13-26)25-17-18-10-11-24-22(16-18)29-19-6-2-1-3-7-19/h4-5,8-11,16,19H,1-3,6-7,12-15,17H2,(H,25,27)
InChIKeyPBSIVLSTQCYNLH-UHFFFAOYSA-N
XLogP3.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
CID 75403194
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide
CID 131920003
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111186256
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564
(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 75407392
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315066
1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111093982

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide (CID 60612889) is N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide is O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is PBSIVLSTQCYNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-23(20-8-4-5-9-21(20)26-12-14-28-15-13-26)25-17-18-10-11-24-22(16-18)29-19-6-2-1-3-7-19/h4-5,8-11,16,19H,1-3,6-7,12-15,17H2,(H,25,27).
What are the key properties of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide?
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 60612889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).