N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C21H23F3N4O2 — CID 126474466

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccn2c(C(=O)N(CCN(C)C)Cc3ccccc3)c(C(F)(F)F)nc12
InChIInChI=1S/C21H23F3N4O2/c1-26(2)12-13-27(14-15-8-5-4-6-9-15)20(29)17-18(21(22,23)24)25-19-16(30-3)10-7-11-28(17)19/h4-11H,12-14H2,1-3H3
InChIKeyRUAOEPZFMDPEQA-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.57
Rot. Bonds7

About N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126474466) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126474466
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccn2c(C(=O)N(CCN(C)C)Cc3ccccc3)c(C(F)(F)F)nc12
InChIInChI=1S/C21H23F3N4O2/c1-26(2)12-13-27(14-15-8-5-4-6-9-15)20(29)17-18(21(22,23)24)25-19-16(30-3)10-7-11-28(17)19/h4-11H,12-14H2,1-3H3
InChIKeyRUAOEPZFMDPEQA-UHFFFAOYSA-N
XLogP3.57
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60707749
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CID 78811414
N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 42773961
N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789556
4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63101974
N-benzyl-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3546858
3-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60543557
N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
1-benzyl-1-[2-(dimethylamino)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
CID 47033764
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 126474466) is N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is COc1cccn2c(C(=O)N(CCN(C)C)Cc3ccccc3)c(C(F)(F)F)nc12.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RUAOEPZFMDPEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-26(2)12-13-27(14-15-8-5-4-6-9-15)20(29)17-18(21(22,23)24)25-19-16(30-3)10-7-11-28(17)19/h4-11H,12-14H2,1-3H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126474466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).