N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide

C28H29N3O3 — CID 143171192

IUPACN-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide
SMILESCCOCCNCCOc1ccc(NC(=O)c2cccc(-c3cccnc3)c2)c2ccccc12
InChIInChI=1S/C28H29N3O3/c1-2-33-17-15-29-16-18-34-27-13-12-26(24-10-3-4-11-25(24)27)31-28(32)22-8-5-7-21(19-22)23-9-6-14-30-20-23/h3-14,19-20,29H,2,15-18H2,1H3,(H,31,32)
InChIKeySMTWXVXXAAGXAO-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.16
Rot. Bonds11

About N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide

N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide (PubChem CID 143171192) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide
PubChem CID143171192
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide
SMILESCCOCCNCCOc1ccc(NC(=O)c2cccc(-c3cccnc3)c2)c2ccccc12
InChIInChI=1S/C28H29N3O3/c1-2-33-17-15-29-16-18-34-27-13-12-26(24-10-3-4-11-25(24)27)31-28(32)22-8-5-7-21(19-22)23-9-6-14-30-20-23/h3-14,19-20,29H,2,15-18H2,1H3,(H,31,32)
InChIKeySMTWXVXXAAGXAO-UHFFFAOYSA-N
XLogP5.16
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876
3-(4-ethoxyphenyl)-N-[4-[2-(1,4-oxazepan-4-yl)ethoxy]naphthalen-1-yl]benzamide
CID 143171320
N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105
3-(3-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 59553438
3-(2-ethoxy-5-methylphenyl)-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]benzamide
CID 70834420
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenoxyphenyl)benzamide
CID 59553162
N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide
CID 102340685
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55863222
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide (CID 143171192) is N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide is CCOCCNCCOc1ccc(NC(=O)c2cccc(-c3cccnc3)c2)c2ccccc12.
What is the InChIKey of N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is SMTWXVXXAAGXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-2-33-17-15-29-16-18-34-27-13-12-26(24-10-3-4-11-25(24)27)31-28(32)22-8-5-7-21(19-22)23-9-6-14-30-20-23/h3-14,19-20,29H,2,15-18H2,1H3,(H,31,32).
What are the key properties of N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide?
N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 455.56 g/mol, XLogP of 5.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-ethoxyethylamino)ethoxy]naphthalen-1-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 143171192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).