5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C19H22N2O3 — CID 42845777

IUPAC5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-23-17-7-5-14(6-8-17)15-10-16(12-20-11-15)19(22)21-13-18-4-3-9-24-18/h5-8,10-12,18H,2-4,9,13H2,1H3,(H,21,22)
InChIKeyDCKQTRNJOICVJE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.06
Rot. Bonds6

About 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 42845777) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID42845777
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-23-17-7-5-14(6-8-17)15-10-16(12-20-11-15)19(22)21-13-18-4-3-9-24-18/h5-8,10-12,18H,2-4,9,13H2,1H3,(H,21,22)
InChIKeyDCKQTRNJOICVJE-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 93231190
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206845
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133150016
5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228852
5-(dipropylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228799

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 42845777) is 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is CCOc1ccc(-c2cncc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DCKQTRNJOICVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-23-17-7-5-14(6-8-17)15-10-16(12-20-11-15)19(22)21-13-18-4-3-9-24-18/h5-8,10-12,18H,2-4,9,13H2,1H3,(H,21,22).
What are the key properties of 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42845777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).