N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide

C17H16N4O4 — CID 124617694

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccnc(O[C@@H]2CCOC2)c1
InChIInChI=1S/C17H16N4O4/c22-16(19-11-1-2-13-14(8-11)21-17(23)20-13)10-3-5-18-15(7-10)25-12-4-6-24-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,19,22)(H2,20,21,23)/t12-/m1/s1
InChIKeyUJFDEARCZXZTJU-GFCCVEGCSA-N
MW340.34 g/mol
LogP1.67
Rot. Bonds4

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 124617694) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
PubChem CID124617694
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccnc(O[C@@H]2CCOC2)c1
InChIInChI=1S/C17H16N4O4/c22-16(19-11-1-2-13-14(8-11)21-17(23)20-13)10-3-5-18-15(7-10)25-12-4-6-24-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,19,22)(H2,20,21,23)/t12-/m1/s1
InChIKeyUJFDEARCZXZTJU-GFCCVEGCSA-N
XLogP1.67
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 127842915
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124615990
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide (CID 124617694) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccnc(O[C@@H]2CCOC2)c1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is UJFDEARCZXZTJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-16(19-11-1-2-13-14(8-11)21-17(23)20-13)10-3-5-18-15(7-10)25-12-4-6-24-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,19,22)(H2,20,21,23)/t12-/m1/s1.
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 124617694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).