N-(6-anilino-2-pyridinyl)-4-propoxybenzamide

C21H21N3O2 — CID 71727898

IUPACN-(6-anilino-2-pyridinyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-2-15-26-18-13-11-16(12-14-18)21(25)24-20-10-6-9-19(23-20)22-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H2,22,23,24,25)
InChIKeyKLPIXGQBMWTNER-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.87
Rot. Bonds7

About N-(6-anilino-2-pyridinyl)-4-propoxybenzamide

N-(6-anilino-2-pyridinyl)-4-propoxybenzamide (PubChem CID 71727898) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(6-anilino-2-pyridinyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(6-anilino-2-pyridinyl)-4-propoxybenzamide
PubChem CID71727898
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(6-anilino-2-pyridinyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-2-15-26-18-13-11-16(12-14-18)21(25)24-20-10-6-9-19(23-20)22-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H2,22,23,24,25)
InChIKeyKLPIXGQBMWTNER-UHFFFAOYSA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-anilino-2-pyridinyl)-4-propoxybenzamide?
The IUPAC name of N-(6-anilino-2-pyridinyl)-4-propoxybenzamide (CID 71727898) is N-(6-anilino-2-pyridinyl)-4-propoxybenzamide.
What is the SMILES notation for N-(6-anilino-2-pyridinyl)-4-propoxybenzamide?
The canonical SMILES for N-(6-anilino-2-pyridinyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(Nc3ccccc3)n2)cc1.
What is the InChIKey of N-(6-anilino-2-pyridinyl)-4-propoxybenzamide?
The InChIKey is KLPIXGQBMWTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-15-26-18-13-11-16(12-14-18)21(25)24-20-10-6-9-19(23-20)22-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(6-anilino-2-pyridinyl)-4-propoxybenzamide?
N-(6-anilino-2-pyridinyl)-4-propoxybenzamide has a molecular weight of 347.42 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-anilino-2-pyridinyl)-4-propoxybenzamide is sourced from PubChem (CID 71727898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).