N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide

C18H26N4O3 — CID 126824333

IUPACN,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESC=CCNC(=O)CN1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1
InChIInChI=1S/C18H26N4O3/c1-4-9-19-16(23)13-22-10-7-15(8-11-22)25-17-6-5-14(12-20-17)18(24)21(2)3/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,19,23)
InChIKeyFEDDHRDUHVGTFG-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.93
Rot. Bonds7

About N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide

N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 126824333) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID126824333
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESC=CCNC(=O)CN1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1
InChIInChI=1S/C18H26N4O3/c1-4-9-19-16(23)13-22-10-7-15(8-11-22)25-17-6-5-14(12-20-17)18(24)21(2)3/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,19,23)
InChIKeyFEDDHRDUHVGTFG-UHFFFAOYSA-N
XLogP0.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824330
6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 126830936
2-[4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-N-prop-2-enylacetamide
CID 171327568
2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
CID 91829203
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63903003
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
2-[4-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55706766
methyl 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]benzoate
CID 46516315
3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
CID 120516671
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
CID 90495494
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 3682627
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide (CID 126824333) is N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide is C=CCNC(=O)CN1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1.
What is the InChIKey of N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is FEDDHRDUHVGTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-9-19-16(23)13-22-10-7-15(8-11-22)25-17-6-5-14(12-20-17)18(24)21(2)3/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,19,23).
What are the key properties of N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide?
N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 126824333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).