4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide

C19H22N2O2 — CID 167003948

IUPAC4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
SMILESCCc1ccnc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-2-14-7-10-20-18(13-14)15-3-5-16(6-4-15)19(22)21-17-8-11-23-12-9-17/h3-7,10,13,17H,2,8-9,11-12H2,1H3,(H,21,22)
InChIKeyDJULFZCUZHTZKZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.22
Rot. Bonds4

About 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide

4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide (PubChem CID 167003948) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
PubChem CID167003948
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
SMILESCCc1ccnc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-2-14-7-10-20-18(13-14)15-3-5-16(6-4-15)19(22)21-17-8-11-23-12-9-17/h3-7,10,13,17H,2,8-9,11-12H2,1H3,(H,21,22)
InChIKeyDJULFZCUZHTZKZ-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
[4-[2-[4-(oxan-4-ylcarbamoyl)phenyl]-4-pyridinyl]-3-pyridin-2-ylpyrazol-1-yl]methyl formate
CID 176618164
N-cyclopentyl-4-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide
CID 143032281
lithium N-(oxan-4-yl)-4-[4-[1-(oxomethoxymethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 176618163
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
4-ethyl-2-(4-methylphenyl)pyridine
CID 165358443
4-[5-amino-6-[amino(quinolin-6-ylmethyl)amino]-2-pyridinyl]-N-(oxan-4-yl)benzamide
CID 139324782
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
N-(oxan-4-yl)-4-(propylamino)pyridine-2-carboxamide
CID 55046881

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide (CID 167003948) is 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide is CCc1ccnc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1.
What is the InChIKey of 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide?
The InChIKey is DJULFZCUZHTZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-14-7-10-20-18(13-14)15-3-5-16(6-4-15)19(22)21-17-8-11-23-12-9-17/h3-7,10,13,17H,2,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide?
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 167003948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).