N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide

C19H25N3O4 — CID 59272878

IUPACN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
SMILESCCC(=O)NC1c2nc(CCc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H25N3O4/c1-2-15(24)21-16-18(26)17(25)14(11-23)22-10-13(20-19(16)22)9-8-12-6-4-3-5-7-12/h3-7,10,14,16-18,23,25-26H,2,8-9,11H2,1H3,(H,21,24)/t14?,16?,17-,18+/m0/s1
InChIKeyQLPMCDAONBPCJU-DQVOVIAYSA-N
MW359.43 g/mol
LogP0.50
Rot. Bonds6

About N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide

N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide (PubChem CID 59272878) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide.

Molecular Properties

Compound NameN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
PubChem CID59272878
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
SMILESCCC(=O)NC1c2nc(CCc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H25N3O4/c1-2-15(24)21-16-18(26)17(25)14(11-23)22-10-13(20-19(16)22)9-8-12-6-4-3-5-7-12/h3-7,10,14,16-18,23,25-26H,2,8-9,11H2,1H3,(H,21,24)/t14?,16?,17-,18+/m0/s1
InChIKeyQLPMCDAONBPCJU-DQVOVIAYSA-N
XLogP0.50
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide?
The IUPAC name of 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) is N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide.
What is the SMILES notation for N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide?
The canonical SMILES for N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide is CCC(=O)NC1c2nc(CCc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide?
The InChIKey is QLPMCDAONBPCJU-DQVOVIAYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-15(24)21-16-18(26)17(25)14(11-23)22-10-13(20-19(16)22)9-8-12-6-4-3-5-7-12/h3-7,10,14,16-18,23,25-26H,2,8-9,11H2,1H3,(H,21,24)/t14?,16?,17-,18+/m0/s1.
What are the key properties of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide?
N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide is sourced from PubChem (CID 59272878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).