N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide

C18H21N3O3 — CID 167836854

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=CN3CCN=C3C=C2)cc1OC
InChIInChI=1S/C18H21N3O3/c1-23-15-5-3-13(11-16(15)24-2)7-8-20-18(22)14-4-6-17-19-9-10-21(17)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)
InChIKeyFGTQCJRPBSDAOL-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167836854) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID167836854
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=CN3CCN=C3C=C2)cc1OC
InChIInChI=1S/C18H21N3O3/c1-23-15-5-3-13(11-16(15)24-2)7-8-20-18(22)14-4-6-17-19-9-10-21(17)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)
InChIKeyFGTQCJRPBSDAOL-UHFFFAOYSA-N
XLogP1.53
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
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CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210163
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802444
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250135
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78885111
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108506303
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide (CID 167836854) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide is COc1ccc(CCNC(=O)C2=CN3CCN=C3C=C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FGTQCJRPBSDAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-5-3-13(11-16(15)24-2)7-8-20-18(22)14-4-6-17-19-9-10-21(17)12-14/h3-6,11-12H,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167836854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).