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

C20H27N3O5 — CID 54587139

IUPAC2,2-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
SMILESCC(C)(CCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)C(=O)Nc1ccccc1
InChIInChI=1S/C20H27N3O5/c1-20(2,19(28)22-12-6-4-3-5-7-12)9-8-13-10-23-14(11-24)15(25)16(26)17(27)18(23)21-13/h3-7,10,14-17,24-27H,8-9,11H2,1-2H3,(H,22,28)/t14-,15-,16+,17-/m1/s1
InChIKeyQVQYGHOPKDGDIL-WCXIOVBPSA-N
MW389.45 g/mol
LogP0.78
Rot. Bonds6

About 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

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 (PubChem CID 54587139) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID54587139
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2,2-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
SMILESCC(C)(CCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)C(=O)Nc1ccccc1
InChIInChI=1S/C20H27N3O5/c1-20(2,19(28)22-12-6-4-3-5-7-12)9-8-13-10-23-14(11-24)15(25)16(26)17(27)18(23)21-13/h3-7,10,14-17,24-27H,8-9,11H2,1-2H3,(H,22,28)/t14-,15-,16+,17-/m1/s1
InChIKeyQVQYGHOPKDGDIL-WCXIOVBPSA-N
XLogP0.78
TPSA127.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

Anilinomethyl gluco-phenylimidazole
CID 5459372
GlcNAcstatin
CID 16098255
(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
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
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
(5R,6R,7R,8S)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 16092316
(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
N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide
CID 59272877
N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
CID 59272878

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(CCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)C(=O)Nc1ccccc1.
What is the InChIKey of 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?
The InChIKey is QVQYGHOPKDGDIL-WCXIOVBPSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-20(2,19(28)22-12-6-4-3-5-7-12)9-8-13-10-23-14(11-24)15(25)16(26)17(27)18(23)21-13/h3-7,10,14-17,24-27H,8-9,11H2,1-2H3,(H,22,28)/t14-,15-,16+,17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 389.45 g/mol, XLogP of 0.78, 6 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-4-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide is sourced from PubChem (CID 54587139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).