2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide

C18H21N3O3 — CID 113025379

IUPAC2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C18H21N3O3/c1-23-16-7-3-2-6-15(16)18(22)21-17-9-8-13(11-20-17)19-12-14-5-4-10-24-14/h2-3,6-9,11,14,19H,4-5,10,12H2,1H3,(H,20,21,22)
InChIKeyZYJJPYDUSONBNP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.93
Rot. Bonds6

About 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide

2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide (PubChem CID 113025379) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
PubChem CID113025379
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C18H21N3O3/c1-23-16-7-3-2-6-15(16)18(22)21-17-9-8-13(11-20-17)19-12-14-5-4-10-24-14/h2-3,6-9,11,14,19H,4-5,10,12H2,1H3,(H,20,21,22)
InChIKeyZYJJPYDUSONBNP-UHFFFAOYSA-N
XLogP2.93
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025389
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
2-(4-methoxyphenyl)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025395
ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate
CID 113025422
3-methyl-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113025362
2-(4-methylphenoxy)-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113025408
2-methyl-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 143457033
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
2-(4-methoxyphenyl)-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]acetamide
CID 113010614

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide (CID 113025379) is 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide is COc1ccccc1C(=O)Nc1ccc(NCC2CCCO2)cn1.
What is the InChIKey of 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide?
The InChIKey is ZYJJPYDUSONBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-16-7-3-2-6-15(16)18(22)21-17-9-8-13(11-20-17)19-12-14-5-4-10-24-14/h2-3,6-9,11,14,19H,4-5,10,12H2,1H3,(H,20,21,22).
What are the key properties of 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide?
2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113025379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).