N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C14H17N3O3 — CID 91771661

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N[C@@H]1COCC[C@H]1O
InChIInChI=1S/C14H17N3O3/c1-9-13(17-6-3-2-4-12(17)15-9)14(19)16-10-8-20-7-5-11(10)18/h2-4,6,10-11,18H,5,7-8H2,1H3,(H,16,19)/t10-,11-/m1/s1
InChIKeyZFGCFTDASFWCMI-GHMZBOCLSA-N
MW275.31 g/mol
LogP0.52
Rot. Bonds2

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 91771661) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID91771661
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)N[C@@H]1COCC[C@H]1O
InChIInChI=1S/C14H17N3O3/c1-9-13(17-6-3-2-4-12(17)15-9)14(19)16-10-8-20-7-5-11(10)18/h2-4,6,10-11,18H,5,7-8H2,1H3,(H,16,19)/t10-,11-/m1/s1
InChIKeyZFGCFTDASFWCMI-GHMZBOCLSA-N
XLogP0.52
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 91771661) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)N[C@@H]1COCC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZFGCFTDASFWCMI-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-13(17-6-3-2-4-12(17)15-9)14(19)16-10-8-20-7-5-11(10)18/h2-4,6,10-11,18H,5,7-8H2,1H3,(H,16,19)/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 91771661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).