3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C18H20N2O3 — CID 126446000

IUPAC3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cn1
InChIInChI=1S/C18H20N2O3/c1-22-17-8-7-15(11-19-17)13-4-2-5-14(10-13)18(21)20-12-16-6-3-9-23-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyDQCLSQJPKUWDPF-INIZCTEOSA-N
MW312.37 g/mol
LogP2.67
Rot. Bonds5

About 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 126446000) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID126446000
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cn1
InChIInChI=1S/C18H20N2O3/c1-22-17-8-7-15(11-19-17)13-4-2-5-14(10-13)18(21)20-12-16-6-3-9-23-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyDQCLSQJPKUWDPF-INIZCTEOSA-N
XLogP2.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
3-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 122559676
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
CID 95053292
3-(5-cyano-6-methoxy-2,4-dimethyl-3-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 122567374
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 126446000) is 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is DQCLSQJPKUWDPF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17-8-7-15(11-19-17)13-4-2-5-14(10-13)18(21)20-12-16-6-3-9-23-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 126446000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).