3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide

C22H22N4O4 — CID 71848488

IUPAC3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC(=O)Nc2ccccn2)ccc1OCc1cccnc1
InChIInChI=1S/C22H22N4O4/c1-2-29-19-12-17(8-9-18(19)30-15-16-6-5-10-23-13-16)22(28)25-14-21(27)26-20-7-3-4-11-24-20/h3-13H,2,14-15H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyPYIKVYQKKHZYIN-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.82
Rot. Bonds9

About 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 71848488) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID71848488
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC(=O)Nc2ccccn2)ccc1OCc1cccnc1
InChIInChI=1S/C22H22N4O4/c1-2-29-19-12-17(8-9-18(19)30-15-16-6-5-10-23-13-16)22(28)25-14-21(27)26-20-7-3-4-11-24-20/h3-13H,2,14-15H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyPYIKVYQKKHZYIN-UHFFFAOYSA-N
XLogP2.82
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
3-ethoxy-N-(2-phenylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676638
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55863222
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493
N-(2-butoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55953832

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 71848488) is 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCC(=O)Nc2ccccn2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is PYIKVYQKKHZYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-2-29-19-12-17(8-9-18(19)30-15-16-6-5-10-23-13-16)22(28)25-14-21(27)26-20-7-3-4-11-24-20/h3-13H,2,14-15H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 406.44 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 71848488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).