N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C17H20N6O2 — CID 167954245

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cnc2c(c1)ncn2C
InChIInChI=1S/C17H20N6O2/c1-3-23-6-5-18-16(23)14-12(4-7-25-14)21-17(24)11-8-13-15(19-9-11)22(2)10-20-13/h5-6,8-10,12,14H,3-4,7H2,1-2H3,(H,21,24)/t12-,14-/m0/s1
InChIKeyZKFXJNADMYJAIT-JSGCOSHPSA-N
MW340.39 g/mol
LogP1.44
Rot. Bonds4

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 167954245) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID167954245
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cnc2c(c1)ncn2C
InChIInChI=1S/C17H20N6O2/c1-3-23-6-5-18-16(23)14-12(4-7-25-14)21-17(24)11-8-13-15(19-9-11)22(2)10-20-13/h5-6,8-10,12,14H,3-4,7H2,1-2H3,(H,21,24)/t12-,14-/m0/s1
InChIKeyZKFXJNADMYJAIT-JSGCOSHPSA-N
XLogP1.44
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 128986150
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
CID 128989734
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 128977398
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(1-methylpyrazol-3-yl)urea
CID 128982943
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
CID 136588223
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100
5-ethyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]furan-2-carboxamide
CID 128986202
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
CID 128986179
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 128986111
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 128986192
5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 127967879
2-cyclohexyloxy-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986230

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 167954245) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cnc2c(c1)ncn2C.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ZKFXJNADMYJAIT-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-23-6-5-18-16(23)14-12(4-7-25-14)21-17(24)11-8-13-15(19-9-11)22(2)10-20-13/h5-6,8-10,12,14H,3-4,7H2,1-2H3,(H,21,24)/t12-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 167954245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).