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

C17H21N3O5 — CID 54582274

IUPACN-phenyl-3-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]propanamide
SMILESO=C(CCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)Nc1ccccc1
InChIInChI=1S/C17H21N3O5/c21-9-12-14(23)15(24)16(25)17-19-11(8-20(12)17)6-7-13(22)18-10-4-2-1-3-5-10/h1-5,8,12,14-16,21,23-25H,6-7,9H2,(H,18,22)/t12-,14-,15+,16-/m1/s1
InChIKeyOIHSEMIOGQPDNK-DMRZNYOFSA-N
MW347.37 g/mol
LogP-0.24
Rot. Bonds5

About 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

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 (PubChem CID 54582274) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-phenyl-3-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]propanamide
PubChem CID54582274
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-phenyl-3-[(5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]propanamide
SMILESO=C(CCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)Nc1ccccc1
InChIInChI=1S/C17H21N3O5/c21-9-12-14(23)15(24)16(25)17-19-11(8-20(12)17)6-7-13(22)18-10-4-2-1-3-5-10/h1-5,8,12,14-16,21,23-25H,6-7,9H2,(H,18,22)/t12-,14-,15+,16-/m1/s1
InChIKeyOIHSEMIOGQPDNK-DMRZNYOFSA-N
XLogP-0.24
TPSA127.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

Anilinomethyl gluco-phenylimidazole
CID 5459372
(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
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
(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,7R,8S)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-2-(phenylcarbamoyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium
CID 49867027
(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
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
(6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 59272881
(6R,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 70898419

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CCc1cn2c(n1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)Nc1ccccc1.
What is the InChIKey of 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?
The InChIKey is OIHSEMIOGQPDNK-DMRZNYOFSA-N. The full InChI is InChI=1S/C17H21N3O5/c21-9-12-14(23)15(24)16(25)17-19-11(8-20(12)17)6-7-13(22)18-10-4-2-1-3-5-10/h1-5,8,12,14-16,21,23-25H,6-7,9H2,(H,18,22)/t12-,14-,15+,16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 347.37 g/mol, XLogP of -0.24, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54582274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).