2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide

C21H29N3O5 — CID 74982391

IUPAC2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide
SMILESCC(C)(CCCc1cn2c(n1)C(O)C(O)C(O)C2CO)C(=O)Nc1ccccc1
InChIInChI=1S/C21H29N3O5/c1-21(2,20(29)23-13-7-4-3-5-8-13)10-6-9-14-11-24-15(12-25)16(26)17(27)18(28)19(24)22-14/h3-5,7-8,11,15-18,25-28H,6,9-10,12H2,1-2H3,(H,23,29)
InChIKeyBJVGBJYNQFORDI-UHFFFAOYSA-N
MW403.48 g/mol
LogP1.17
Rot. Bonds7

About 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide

2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide (PubChem CID 74982391) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide
PubChem CID74982391
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide
SMILESCC(C)(CCCc1cn2c(n1)C(O)C(O)C(O)C2CO)C(=O)Nc1ccccc1
InChIInChI=1S/C21H29N3O5/c1-21(2,20(29)23-13-7-4-3-5-8-13)10-6-9-14-11-24-15(12-25)16(26)17(27)18(28)19(24)22-14/h3-5,7-8,11,15-18,25-28H,6,9-10,12H2,1-2H3,(H,23,29)
InChIKeyBJVGBJYNQFORDI-UHFFFAOYSA-N
XLogP1.17
TPSA127.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

Anilinomethyl gluco-phenylimidazole
CID 5459372
GlcNAcstatin
CID 16098255
(5R,6R,7S,8S)-5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6,7,8-triol
CID 5288604
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(phenylaminomethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
CID 11312770
N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
CID 72199425
N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide
CID 74982390
N-phenyl-3-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]propanamide
CID 54582274
2,2-dimethyl-N-phenyl-4-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide
CID 54587139
(5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11638295
(5R,6R,7S,8R)-2-(anilinomethyl)-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium-6,7,8-triol
CID 49867379
CID 122173013
CID 122173013
5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 23644530

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide?
The IUPAC name of 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide (CID 74982391) is 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide.
What is the SMILES notation for 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide?
The canonical SMILES for 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide is CC(C)(CCCc1cn2c(n1)C(O)C(O)C(O)C2CO)C(=O)Nc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide?
The InChIKey is BJVGBJYNQFORDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-21(2,20(29)23-13-7-4-3-5-8-13)10-6-9-14-11-24-15(12-25)16(26)17(27)18(28)19(24)22-14/h3-5,7-8,11,15-18,25-28H,6,9-10,12H2,1-2H3,(H,23,29).
What are the key properties of 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide?
2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide has a molecular weight of 403.48 g/mol, XLogP of 1.17, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-phenyl-5-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]pentanamide is sourced from PubChem (CID 74982391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).