N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide

C17H25N3O2 — CID 113030831

IUPACN-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCC1CCCN(c2ccc(NC(=O)C3CCOCC3)nc2)C1
InChIInChI=1S/C17H25N3O2/c1-13-3-2-8-20(12-13)15-4-5-16(18-11-15)19-17(21)14-6-9-22-10-7-14/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H,18,19,21)
InChIKeyMKOXZDGOCFQNNI-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.68
Rot. Bonds3

About N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide

N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113030831) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID113030831
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCC1CCCN(c2ccc(NC(=O)C3CCOCC3)nc2)C1
InChIInChI=1S/C17H25N3O2/c1-13-3-2-8-20(12-13)15-4-5-16(18-11-15)19-17(21)14-6-9-22-10-7-14/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H,18,19,21)
InChIKeyMKOXZDGOCFQNNI-UHFFFAOYSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
CID 113030823
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
(2S,4S)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120632213
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide (CID 113030831) is N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide is CC1CCCN(c2ccc(NC(=O)C3CCOCC3)nc2)C1.
What is the InChIKey of N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is MKOXZDGOCFQNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-3-2-8-20(12-13)15-4-5-16(18-11-15)19-17(21)14-6-9-22-10-7-14/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H,18,19,21).
What are the key properties of N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide?
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113030831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).