N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide

C18H23N3O5 — CID 74982390

IUPACN-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide
SMILESO=C(CCCc1cn2c(n1)C(O)C(O)C(O)C2CO)Nc1ccccc1
InChIInChI=1S/C18H23N3O5/c22-10-13-15(24)16(25)17(26)18-20-12(9-21(13)18)7-4-8-14(23)19-11-5-2-1-3-6-11/h1-3,5-6,9,13,15-17,22,24-26H,4,7-8,10H2,(H,19,23)
InChIKeyNFCRLBOYIVLLLQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.15
Rot. Bonds6

About N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide

N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide (PubChem CID 74982390) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide.

Molecular Properties

Compound NameN-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide
PubChem CID74982390
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide
SMILESO=C(CCCc1cn2c(n1)C(O)C(O)C(O)C2CO)Nc1ccccc1
InChIInChI=1S/C18H23N3O5/c22-10-13-15(24)16(25)17(26)18-20-12(9-21(13)18)7-4-8-14(23)19-11-5-2-1-3-6-11/h1-3,5-6,9,13,15-17,22,24-26H,4,7-8,10H2,(H,19,23)
InChIKeyNFCRLBOYIVLLLQ-UHFFFAOYSA-N
XLogP0.15
TPSA127.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide?
The IUPAC name of N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide (CID 74982390) is N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide.
What is the SMILES notation for N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide?
The canonical SMILES for N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide is O=C(CCCc1cn2c(n1)C(O)C(O)C(O)C2CO)Nc1ccccc1.
What is the InChIKey of N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide?
The InChIKey is NFCRLBOYIVLLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c22-10-13-15(24)16(25)17(26)18-20-12(9-21(13)18)7-4-8-14(23)19-11-5-2-1-3-6-11/h1-3,5-6,9,13,15-17,22,24-26H,4,7-8,10H2,(H,19,23).
What are the key properties of N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide?
N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide has a molecular weight of 361.40 g/mol, XLogP of 0.15, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]butanamide is sourced from PubChem (CID 74982390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).