N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C29H32N4O3 — CID 16612944

IUPACN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)N2CCCC2)cc1
InChIInChI=1S/C29H32N4O3/c1-21-6-5-17-33-19-24(31-28(21)33)20-36-26-13-9-23(10-14-26)29(34)30-18-27(32-15-3-4-16-32)22-7-11-25(35-2)12-8-22/h5-14,17,19,27H,3-4,15-16,18,20H2,1-2H3,(H,30,34)
InChIKeyQRBHINWQRPAWNE-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.80
Rot. Bonds9

About N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 16612944) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID16612944
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)N2CCCC2)cc1
InChIInChI=1S/C29H32N4O3/c1-21-6-5-17-33-19-24(31-28(21)33)20-36-26-13-9-23(10-14-26)29(34)30-18-27(32-15-3-4-16-32)22-7-11-25(35-2)12-8-22/h5-14,17,19,27H,3-4,15-16,18,20H2,1-2H3,(H,30,34)
InChIKeyQRBHINWQRPAWNE-UHFFFAOYSA-N
XLogP4.80
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 42939373
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31190452
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(2-thiophen-2-ylethyl)benzamide
CID 16612941
N-[(2-methoxy-3-pyridinyl)methyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 46580431
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N'-(4-methoxybenzoyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzohydrazide
CID 24653958
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
N-[2-(N-methylanilino)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 41463647
N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 42093656

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 16612944) is N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is COc1ccc(C(CNC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is QRBHINWQRPAWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-21-6-5-17-33-19-24(31-28(21)33)20-36-26-13-9-23(10-14-26)29(34)30-18-27(32-15-3-4-16-32)22-7-11-25(35-2)12-8-22/h5-14,17,19,27H,3-4,15-16,18,20H2,1-2H3,(H,30,34).
What are the key properties of N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 484.60 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 16612944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).