N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

C20H21N3O4 — CID 91761760

IUPACN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1cn2ccccc2n1
InChIInChI=1S/C20H21N3O4/c24-12-14-4-6-15(7-5-14)27-18-13-26-10-8-16(18)22-20(25)17-11-23-9-2-1-3-19(23)21-17/h1-7,9,11,16,18,24H,8,10,12-13H2,(H,22,25)/t16-,18-/m1/s1
InChIKeyONCLMIRSRQQREU-SJLPKXTDSA-N
MW367.41 g/mol
LogP1.79
Rot. Bonds5

About N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 91761760) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID91761760
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1cn2ccccc2n1
InChIInChI=1S/C20H21N3O4/c24-12-14-4-6-15(7-5-14)27-18-13-26-10-8-16(18)22-20(25)17-11-23-9-2-1-3-19(23)21-17/h1-7,9,11,16,18,24H,8,10,12-13H2,(H,22,25)/t16-,18-/m1/s1
InChIKeyONCLMIRSRQQREU-SJLPKXTDSA-N
XLogP1.79
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 133260542
2-amino-N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-6-methylpyrimidine-4-carboxamide
CID 91829216
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 155912039
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]morpholine-4-carboxamide
CID 91764139
N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 91763480
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]cycloheptanecarboxamide
CID 91771255
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
N-(2-hydroxycyclohexyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 55063744
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 91790406
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]-3-(tetrazol-1-yl)propanamide
CID 91769243
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 128989719

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 91761760) is N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1cn2ccccc2n1.
What is the InChIKey of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ONCLMIRSRQQREU-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-12-14-4-6-15(7-5-14)27-18-13-26-10-8-16(18)22-20(25)17-11-23-9-2-1-3-19(23)21-17/h1-7,9,11,16,18,24H,8,10,12-13H2,(H,22,25)/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 91761760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).