6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C19H25N3O3 — CID 126830936

IUPAC6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OC2CCN(C(=O)C=C3CCC3)CC2)nc1
InChIInChI=1S/C19H25N3O3/c1-21(2)19(24)15-6-7-17(20-13-15)25-16-8-10-22(11-9-16)18(23)12-14-4-3-5-14/h6-7,12-13,16H,3-5,8-11H2,1-2H3
InChIKeyFJWOVALDKADAMO-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.26
Rot. Bonds4

About 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide

6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 126830936) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID126830936
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OC2CCN(C(=O)C=C3CCC3)CC2)nc1
InChIInChI=1S/C19H25N3O3/c1-21(2)19(24)15-6-7-17(20-13-15)25-16-8-10-22(11-9-16)18(23)12-14-4-3-5-14/h6-7,12-13,16H,3-5,8-11H2,1-2H3
InChIKeyFJWOVALDKADAMO-UHFFFAOYSA-N
XLogP2.26
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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
N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824333
2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518735
N,N-dimethyl-6-(4-methylpiperidin-3-yl)oxypyridine-3-carboxamide
CID 102954715
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone
CID 167705361
N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815546
(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138699
N,N-dimethyl-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017281
6-cyclopentyloxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 128982031
[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 166572022
3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
CID 120516671

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 126830936) is 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(OC2CCN(C(=O)C=C3CCC3)CC2)nc1.
What is the InChIKey of 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is FJWOVALDKADAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21(2)19(24)15-6-7-17(20-13-15)25-16-8-10-22(11-9-16)18(23)12-14-4-3-5-14/h6-7,12-13,16H,3-5,8-11H2,1-2H3.
What are the key properties of 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 126830936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).