6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide

C17H23N5O2 — CID 133314215

IUPAC6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCCC(N3CCNC3=O)C2)nc1
InChIInChI=1S/C17H23N5O2/c1-2-7-18-16(23)13-5-6-15(20-11-13)21-9-3-4-14(12-21)22-10-8-19-17(22)24/h2,5-6,11,14H,1,3-4,7-10,12H2,(H,18,23)(H,19,24)
InChIKeyHNVJQKHTNHLIGW-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.99
Rot. Bonds5

About 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide

6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133314215) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133314215
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCCC(N3CCNC3=O)C2)nc1
InChIInChI=1S/C17H23N5O2/c1-2-7-18-16(23)13-5-6-15(20-11-13)21-9-3-4-14(12-21)22-10-8-19-17(22)24/h2,5-6,11,14H,1,3-4,7-10,12H2,(H,18,23)(H,19,24)
InChIKeyHNVJQKHTNHLIGW-UHFFFAOYSA-N
XLogP0.99
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide (CID 133314215) is 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N2CCCC(N3CCNC3=O)C2)nc1.
What is the InChIKey of 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is HNVJQKHTNHLIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-7-18-16(23)13-5-6-15(20-11-13)21-9-3-4-14(12-21)22-10-8-19-17(22)24/h2,5-6,11,14H,1,3-4,7-10,12H2,(H,18,23)(H,19,24).
What are the key properties of 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133314215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).