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

C14H23N3O4 — CID 70898425

IUPACN-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
SMILESCCCc1cn2c(n1)C(NC(=O)CC)[C@@H](O)[C@H](O)C2CO
InChIInChI=1S/C14H23N3O4/c1-3-5-8-6-17-9(7-18)12(20)13(21)11(14(17)15-8)16-10(19)4-2/h6,9,11-13,18,20-21H,3-5,7H2,1-2H3,(H,16,19)/t9?,11?,12-,13-/m1/s1
InChIKeyKMRWCJFNDBZWBF-VYKQGROPSA-N
MW297.36 g/mol
LogP-0.33
Rot. Bonds5

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

N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide (PubChem CID 70898425) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide.

Molecular Properties

Compound NameN-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
PubChem CID70898425
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
SMILESCCCc1cn2c(n1)C(NC(=O)CC)[C@@H](O)[C@H](O)C2CO
InChIInChI=1S/C14H23N3O4/c1-3-5-8-6-17-9(7-18)12(20)13(21)11(14(17)15-8)16-10(19)4-2/h6,9,11-13,18,20-21H,3-5,7H2,1-2H3,(H,16,19)/t9?,11?,12-,13-/m1/s1
InChIKeyKMRWCJFNDBZWBF-VYKQGROPSA-N
XLogP-0.33
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide?
The IUPAC name of N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide (CID 70898425) is N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide.
What is the SMILES notation for N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide?
The canonical SMILES for N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide is CCCc1cn2c(n1)C(NC(=O)CC)[C@@H](O)[C@H](O)C2CO.
What is the InChIKey of N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide?
The InChIKey is KMRWCJFNDBZWBF-VYKQGROPSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-5-8-6-17-9(7-18)12(20)13(21)11(14(17)15-8)16-10(19)4-2/h6,9,11-13,18,20-21H,3-5,7H2,1-2H3,(H,16,19)/t9?,11?,12-,13-/m1/s1.
What are the key properties of N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide?
N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide has a molecular weight of 297.36 g/mol, XLogP of -0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide is sourced from PubChem (CID 70898425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).