4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide

C17H18N2O3 — CID 126447092

IUPAC4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)N[C@H]2CCOC2)cc1
InChIInChI=1S/C17H18N2O3/c1-21-15-3-2-9-18-16(15)12-4-6-13(7-5-12)17(20)19-14-8-10-22-11-14/h2-7,9,14H,8,10-11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyQYKUHDKKZZCTCJ-AWEZNQCLSA-N
MW298.34 g/mol
LogP2.28
Rot. Bonds4

About 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide

4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 126447092) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID126447092
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESCOc1cccnc1-c1ccc(C(=O)N[C@H]2CCOC2)cc1
InChIInChI=1S/C17H18N2O3/c1-21-15-3-2-9-18-16(15)12-4-6-13(7-5-12)17(20)19-14-8-10-22-11-14/h2-7,9,14H,8,10-11H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyQYKUHDKKZZCTCJ-AWEZNQCLSA-N
XLogP2.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 155725116
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 103839457
4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide
CID 125164781
2-amino-N-[(3S)-oxolan-3-yl]pyridine-4-carboxamide
CID 121352227
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide
CID 121495738
3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125174867

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide (CID 126447092) is 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide is COc1cccnc1-c1ccc(C(=O)N[C@H]2CCOC2)cc1.
What is the InChIKey of 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is QYKUHDKKZZCTCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-15-3-2-9-18-16(15)12-4-6-13(7-5-12)17(20)19-14-8-10-22-11-14/h2-7,9,14H,8,10-11H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide?
4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 126447092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).