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

C26H32N4O4 — CID 70983545

IUPACN-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(OC)c(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)c1
InChIInChI=1S/C26H32N4O4/c1-33-21-7-8-23(34-2)22(17-21)26(32)29-14-10-19(11-15-29)5-3-4-12-28-25(31)20-6-9-24-27-13-16-30(24)18-20/h6-9,13,16-19H,3-5,10-12,14-15H2,1-2H3,(H,28,31)
InChIKeyVVCIBUXIZBTETC-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.80
Rot. Bonds9

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

N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 70983545) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID70983545
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(OC)c(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)c1
InChIInChI=1S/C26H32N4O4/c1-33-21-7-8-23(34-2)22(17-21)26(32)29-14-10-19(11-15-29)5-3-4-12-28-25(31)20-6-9-24-27-13-16-30(24)18-20/h6-9,13,16-19H,3-5,10-12,14-15H2,1-2H3,(H,28,31)
InChIKeyVVCIBUXIZBTETC-UHFFFAOYSA-N
XLogP3.80
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.80
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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Related Compounds

N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 129142501
N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70984745
N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983749
N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140651910
N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90381452
N-[4-[1-(4-methyl-1,3-thiazolidine-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90381281
N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140651913
N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140652040
imidazo[1,2-a]pyridin-6-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612790
3,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzamide
CID 46378959
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
[4-(cyclopropylmethylamino)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119622933

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 70983545) is N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is COc1ccc(OC)c(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)c1.
What is the InChIKey of N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is VVCIBUXIZBTETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-33-21-7-8-23(34-2)22(17-21)26(32)29-14-10-19(11-15-29)5-3-4-12-28-25(31)20-6-9-24-27-13-16-30(24)18-20/h6-9,13,16-19H,3-5,10-12,14-15H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 70983545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).