4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide

C19H22N2O3 — CID 121494536

IUPAC4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCOc1cncc(-c2ccc(C(=O)NCCC3CCOC3)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-23-18-10-17(11-20-12-18)15-2-4-16(5-3-15)19(22)21-8-6-14-7-9-24-13-14/h2-5,10-12,14H,6-9,13H2,1H3,(H,21,22)
InChIKeyWHJBLAPLIVEVQL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.91
Rot. Bonds6

About 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide

4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 121494536) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
PubChem CID121494536
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCOc1cncc(-c2ccc(C(=O)NCCC3CCOC3)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-23-18-10-17(11-20-12-18)15-2-4-16(5-3-15)19(22)21-8-6-14-7-9-24-13-14/h2-5,10-12,14H,6-9,13H2,1H3,(H,21,22)
InChIKeyWHJBLAPLIVEVQL-UHFFFAOYSA-N
XLogP2.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
4-methoxy-N-[2-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 122570420
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126434522
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
4-(1-oxo-2H-isoquinolin-7-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126432243
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide (CID 121494536) is 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide is COc1cncc(-c2ccc(C(=O)NCCC3CCOC3)cc2)c1.
What is the InChIKey of 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is WHJBLAPLIVEVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-18-10-17(11-20-12-18)15-2-4-16(5-3-15)19(22)21-8-6-14-7-9-24-13-14/h2-5,10-12,14H,6-9,13H2,1H3,(H,21,22).
What are the key properties of 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide?
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 121494536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).