4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide

C21H21N3O3 — CID 121165392

IUPAC4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
SMILESCOCCOc1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-26-12-13-27-19-4-2-18(3-5-19)21(25)24-15-16-6-11-23-20(14-16)17-7-9-22-10-8-17/h2-11,14H,12-13,15H2,1H3,(H,24,25)
InChIKeyQXQKSEPJSOWVHR-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.10
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide

4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide (PubChem CID 121165392) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
PubChem CID121165392
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
SMILESCOCCOc1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-26-12-13-27-19-4-2-18(3-5-19)21(25)24-15-16-6-11-23-20(14-16)17-7-9-22-10-8-17/h2-11,14H,12-13,15H2,1H3,(H,24,25)
InChIKeyQXQKSEPJSOWVHR-UHFFFAOYSA-N
XLogP3.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
CID 121165342
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
2-ethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 121165391

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide (CID 121165392) is 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide is COCCOc1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is QXQKSEPJSOWVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-12-13-27-19-4-2-18(3-5-19)21(25)24-15-16-6-11-23-20(14-16)17-7-9-22-10-8-17/h2-11,14H,12-13,15H2,1H3,(H,24,25).
What are the key properties of 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121165392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).