N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide

C16H23N3O2 — CID 649988

IUPACN-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C16H23N3O2/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h6-7,11,14H,1-5,8-10,12H2,(H,18,20)
InChIKeyMYEWKQVCVGOBNT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.98
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 649988) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide
PubChem CID649988
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C16H23N3O2/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h6-7,11,14H,1-5,8-10,12H2,(H,18,20)
InChIKeyMYEWKQVCVGOBNT-UHFFFAOYSA-N
XLogP1.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide (CID 649988) is N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is MYEWKQVCVGOBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(18-12-14-5-4-10-21-14)13-6-7-15(17-11-13)19-8-2-1-3-9-19/h6-7,11,14H,1-5,8-10,12H2,(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 649988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).