N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

C25H28N4O4 — CID 70983730

IUPACN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2nccn2c1
InChIInChI=1S/C25H28N4O4/c30-24(20-5-7-23-26-11-14-29(23)16-20)27-10-2-1-3-18-8-12-28(13-9-18)25(31)19-4-6-21-22(15-19)33-17-32-21/h4-7,11,14-16,18H,1-3,8-10,12-13,17H2,(H,27,30)
InChIKeyNOQZQRGUGNELCR-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.52
Rot. Bonds7

About N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 70983730) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID70983730
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2nccn2c1
InChIInChI=1S/C25H28N4O4/c30-24(20-5-7-23-26-11-14-29(23)16-20)27-10-2-1-3-18-8-12-28(13-9-18)25(31)19-4-6-21-22(15-19)33-17-32-21/h4-7,11,14-16,18H,1-3,8-10,12-13,17H2,(H,27,30)
InChIKeyNOQZQRGUGNELCR-UHFFFAOYSA-N
XLogP3.52
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 70983730) is N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NOQZQRGUGNELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-24(20-5-7-23-26-11-14-29(23)16-20)27-10-2-1-3-18-8-12-28(13-9-18)25(31)19-4-6-21-22(15-19)33-17-32-21/h4-7,11,14-16,18H,1-3,8-10,12-13,17H2,(H,27,30).
What are the key properties of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 70983730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).