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

C15H25N3O4 — CID 59272876

IUPACN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide
SMILESCCCc1cn2c(n1)C(NC(=O)C(C)C)[C@@H](O)[C@@H](O)C2CO
InChIInChI=1S/C15H25N3O4/c1-4-5-9-6-18-10(7-19)12(20)13(21)11(14(18)16-9)17-15(22)8(2)3/h6,8,10-13,19-21H,4-5,7H2,1-3H3,(H,17,22)/t10?,11?,12-,13+/m0/s1
InChIKeyUYJANBLNUXZZNV-IFWUJCSASA-N
MW311.38 g/mol
LogP-0.08
Rot. Bonds5

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

N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide (PubChem CID 59272876) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide
PubChem CID59272876
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide
SMILESCCCc1cn2c(n1)C(NC(=O)C(C)C)[C@@H](O)[C@@H](O)C2CO
InChIInChI=1S/C15H25N3O4/c1-4-5-9-6-18-10(7-19)12(20)13(21)11(14(18)16-9)17-15(22)8(2)3/h6,8,10-13,19-21H,4-5,7H2,1-3H3,(H,17,22)/t10?,11?,12-,13+/m0/s1
InChIKeyUYJANBLNUXZZNV-IFWUJCSASA-N
XLogP-0.08
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.08
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-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide?
The IUPAC name of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide (CID 59272876) is N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide?
The canonical SMILES for N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide is CCCc1cn2c(n1)C(NC(=O)C(C)C)[C@@H](O)[C@@H](O)C2CO.
What is the InChIKey of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide?
The InChIKey is UYJANBLNUXZZNV-IFWUJCSASA-N. The full InChI is InChI=1S/C15H25N3O4/c1-4-5-9-6-18-10(7-19)12(20)13(21)11(14(18)16-9)17-15(22)8(2)3/h6,8,10-13,19-21H,4-5,7H2,1-3H3,(H,17,22)/t10?,11?,12-,13+/m0/s1.
What are the key properties of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide?
N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide has a molecular weight of 311.38 g/mol, XLogP of -0.08, 5 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-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-2-methylpropanamide is sourced from PubChem (CID 59272876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).