N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide

C21H27N3O3 — CID 87281754

IUPACN-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESO=C(NOCC1CCCCC1CO)c1ccccc1NCc1ccncc1
InChIInChI=1S/C21H27N3O3/c25-14-17-5-1-2-6-18(17)15-27-24-21(26)19-7-3-4-8-20(19)23-13-16-9-11-22-12-10-16/h3-4,7-12,17-18,23,25H,1-2,5-6,13-15H2,(H,24,26)
InChIKeyKTKUXVJXFFXWHZ-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.15
Rot. Bonds8

About N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide

N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 87281754) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID87281754
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESO=C(NOCC1CCCCC1CO)c1ccccc1NCc1ccncc1
InChIInChI=1S/C21H27N3O3/c25-14-17-5-1-2-6-18(17)15-27-24-21(26)19-7-3-4-8-20(19)23-13-16-9-11-22-12-10-16/h3-4,7-12,17-18,23,25H,1-2,5-6,13-15H2,(H,24,26)
InChIKeyKTKUXVJXFFXWHZ-UHFFFAOYSA-N
XLogP3.15
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11151978
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862
2-[(6-amino-3-pyridinyl)methylamino]-N-(cyclopentylmethoxy)benzamide
CID 87282068
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
2-(pyridin-4-ylmethylamino)-N-[2-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 87858763
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
N-[(3-butyl-2,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 91581577
N-(cyclopentylmethoxy)-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
CID 44553345
N-(cyclopentylmethoxy)-2-[[2-(methylcarbamothioylamino)-4-pyridinyl]methylamino]benzamide
CID 44553843

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide (CID 87281754) is N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide is O=C(NOCC1CCCCC1CO)c1ccccc1NCc1ccncc1.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is KTKUXVJXFFXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-14-17-5-1-2-6-18(17)15-27-24-21(26)19-7-3-4-8-20(19)23-13-16-9-11-22-12-10-16/h3-4,7-12,17-18,23,25H,1-2,5-6,13-15H2,(H,24,26).
What are the key properties of N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 369.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 87281754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).