N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide

C26H22N4O2 — CID 101359093

IUPACN-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1cccc(-c2cccc(N(C)C(=O)c3ccccc3)n2)n1
InChIInChI=1S/C26H22N4O2/c1-29(25(31)19-11-5-3-6-12-19)23-17-9-15-21(27-23)22-16-10-18-24(28-22)30(2)26(32)20-13-7-4-8-14-20/h3-18H,1-2H3
InChIKeyWCUUZNREOIEHPS-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.70
Rot. Bonds5

About N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide

N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide (PubChem CID 101359093) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide
PubChem CID101359093
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1cccc(-c2cccc(N(C)C(=O)c3ccccc3)n2)n1
InChIInChI=1S/C26H22N4O2/c1-29(25(31)19-11-5-3-6-12-19)23-17-9-15-21(27-23)22-16-10-18-24(28-22)30(2)26(32)20-13-7-4-8-14-20/h3-18H,1-2H3
InChIKeyWCUUZNREOIEHPS-UHFFFAOYSA-N
XLogP4.70
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide?
The IUPAC name of N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide (CID 101359093) is N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide?
The canonical SMILES for N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1cccc(-c2cccc(N(C)C(=O)c3ccccc3)n2)n1.
What is the InChIKey of N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide?
The InChIKey is WCUUZNREOIEHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-29(25(31)19-11-5-3-6-12-19)23-17-9-15-21(27-23)22-16-10-18-24(28-22)30(2)26(32)20-13-7-4-8-14-20/h3-18H,1-2H3.
What are the key properties of N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide?
N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide has a molecular weight of 422.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 101359093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).