3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide

C21H28N4O2 — CID 71887416

IUPAC3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1
InChIInChI=1S/C21H28N4O2/c1-21(2,3)12-19(26)22-13-20(27)23-16-8-6-7-15(11-16)17-14-25-10-5-4-9-18(25)24-17/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyIBZJRPAVSAJHGV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.38
Rot. Bonds5

About 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide

3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide (PubChem CID 71887416) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
PubChem CID71887416
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1
InChIInChI=1S/C21H28N4O2/c1-21(2,3)12-19(26)22-13-20(27)23-16-8-6-7-15(11-16)17-14-25-10-5-4-9-18(25)24-17/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyIBZJRPAVSAJHGV-UHFFFAOYSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 55885429
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 94495320
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55884527
2,3-dichloro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885167
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
CID 60567580
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenyl)acetamide
CID 134369574
2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525309
2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525962
3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 86933739
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
CID 56567177
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55884661

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide (CID 71887416) is 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide is CC(C)(C)CC(=O)NCC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1.
What is the InChIKey of 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide?
The InChIKey is IBZJRPAVSAJHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-21(2,3)12-19(26)22-13-20(27)23-16-8-6-7-15(11-16)17-14-25-10-5-4-9-18(25)24-17/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide?
3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide has a molecular weight of 368.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide is sourced from PubChem (CID 71887416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).