N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

C17H23N5O — CID 86909959

IUPACN-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
SMILESC=CCNC(=O)C(C)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C17H23N5O/c1-3-9-18-17(23)13(2)21-11-7-14(8-12-21)16-20-19-15-6-4-5-10-22(15)16/h3-6,10,13-14H,1,7-9,11-12H2,2H3,(H,18,23)
InChIKeyARUPZOKBBZNGBG-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.60
Rot. Bonds5

About N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 86909959) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
PubChem CID86909959
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
SMILESC=CCNC(=O)C(C)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C17H23N5O/c1-3-9-18-17(23)13(2)21-11-7-14(8-12-21)16-20-19-15-6-4-5-10-22(15)16/h3-6,10,13-14H,1,7-9,11-12H2,2H3,(H,18,23)
InChIKeyARUPZOKBBZNGBG-UHFFFAOYSA-N
XLogP1.60
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide (CID 86909959) is N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is C=CCNC(=O)C(C)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is ARUPZOKBBZNGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-9-18-17(23)13(2)21-11-7-14(8-12-21)16-20-19-15-6-4-5-10-22(15)16/h3-6,10,13-14H,1,7-9,11-12H2,2H3,(H,18,23).
What are the key properties of N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide?
N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 313.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 86909959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).