N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide

C20H24N4O3 — CID 60591153

IUPACN'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
SMILESCC1CCN(C(=O)CO/N=C(/N)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C20H24N4O3/c1-15-9-12-24(13-10-15)18(25)14-26-23-19(21)17-8-5-11-22-20(17)27-16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H2,21,23)
InChIKeyADHWVWFEYINBPR-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.77
Rot. Bonds6

About N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide

N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide (PubChem CID 60591153) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
PubChem CID60591153
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
SMILESCC1CCN(C(=O)CO/N=C(/N)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C20H24N4O3/c1-15-9-12-24(13-10-15)18(25)14-26-23-19(21)17-8-5-11-22-20(17)27-16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H2,21,23)
InChIKeyADHWVWFEYINBPR-UHFFFAOYSA-N
XLogP2.77
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355379
2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide
CID 60591154
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2352452
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
CID 112978586
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993
4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 126804071
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441306
3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76871490
2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide
CID 47075143
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide?
The IUPAC name of N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide (CID 60591153) is N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide.
What is the SMILES notation for N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide?
The canonical SMILES for N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide is CC1CCN(C(=O)CO/N=C(/N)c2cccnc2Oc2ccccc2)CC1.
What is the InChIKey of N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide?
The InChIKey is ADHWVWFEYINBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-9-12-24(13-10-15)18(25)14-26-23-19(21)17-8-5-11-22-20(17)27-16-6-3-2-4-7-16/h2-8,11,15H,9-10,12-14H2,1H3,(H2,21,23).
What are the key properties of N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide?
N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide has a molecular weight of 368.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide is sourced from PubChem (CID 60591153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).